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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N
Molecular Weight 81.1158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLPYRROLE

SMILES

CN1C=CC=C1

InChI

InChIKey=OXHNLMTVIGZXSG-UHFFFAOYSA-N
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C5H7N
Molecular Weight 81.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A study of the vaporization enthalpies of some 1-substituted imidazoles and pyrazoles by correlation-gas chromatography.
2010-12-23
A new colorimetric chemodosimeter for Hg2+ based on charge-transfer compound of N-methylpyrrole with TCNQ.
2010-12-15
Setting anchor in the minor groove: in silico investigation into formamido N-methylpyrrole and N-methylimidazole polyamides bound by cognate DNA sequences.
2010-09-27
Design, synthesis and biological evaluation of a novel series of anthrapyrazoles linked with netropsin-like oligopyrrole carboxamides as anticancer agents.
2010-06-01
Simultaneous determination of catecholamines, uric acid and ascorbic acid at physiological levels using poly(N-methylpyrrole)/Pd-nanoclusters sensor.
2010-05-01
DNA recognition: design, synthesis and biophysical characteristics of pyrrole(H) based polyamides.
2010-05
Novel DNA-peptide interaction networks.
2010-04-01
Anticancer activities of alkylating pyrrole-imidazole polyamides with specific sequence recognition.
2010-03
Cell permeability of Py-Im-polyamide-fluorescein conjugates: Influence of molecular size and Py/Im content.
2010-01-15
Detection of multiple network-based allosteric interactions between peptides and arrays of DNA binding sites.
2010-01-01
New insights on the photodissociation of N-methylpyrrole: the role of stereoelectronic effects.
2009-12-31
Highly efficient synthesis of DNA-binding hairpin polyamides via the use of a new triphosgene coupling strategy.
2009-09-03
Electrospray ionization tandem mass spectrometric characteristics of d4T H-phosphonate and distamycin conjugates.
2009-09
A new method for the determination of the relative affinity of a ligand against various DNA sequences by electrospray ionization mass spectrometry. Application to a polyamide minor groove binder.
2009-08
Photodissociation dynamics of N-methylindole, N-methylpyrrole, and anisole.
2009-04-23
Determination of pyrrole-imidazole polyamide in rat plasma by liquid chromatography-tandem mass spectrometry.
2009-04-15
Electropolymerized tricopolymer based on N-pyrrole derivatives as a primer coating for improving the performance of a drug-eluting stent.
2009-04
Design, synthesis and biological evaluation of a novel class of anticancer agents: anthracenylisoxazole lexitropsin conjugates.
2009-02-15
Cooperative alkylation of double-strand human telomere repeat sequences by PI polyamides with 11-base-pair recognition based on a heterotrimeric design.
2009-02-01
Synthesis and reactivity of metal carbene complexes with heterobiaryl spacer substituents.
2009-01-28
Electrochemical control of a DNA Holliday Junction nanoswitch by Mg2+ ions.
2008-11-15
[Advances in the chemical and biological studies of polyamides].
2008-11
Discovery of 4-aryl-2-oxo-2H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay.
2008-10-15
Influence of surface morphology on the colloidal and electronic behavior of conjugated polymer-silica microspheres.
2008-09-02
Novel achiral titanocene anti-cancer drugs synthesised from bis-N,N-dimethylamino fulvene and lithiated heterocyclic compounds.
2008-04
Influence of the d orbital occupation on the nature and strength of copper cation-pi interactions: threshold collision-induced dissociation and theoretical studies.
2007-11-28
Effect of type of oil and addition of delta-tocopherol on model flavor compound stability during storage.
2007-10-31
Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation.
2007-07-19
Synthesis, antiviral and antitumor activity of 2-substituted-5-amidino-benzimidazoles.
2007-07-01
NMR spectra, GIAO and charge density calculations of five-membered aromatic heterocycles.
2007-07
Restricted open-shell Kohn-Sham theory: simulation of the pyrrole photodissociation.
2007-03-28
Sequence-specific recognition of double-stranded DNA by synthetic minor groove binder conjugates. toward the construction of artificial site-specific deoxyribonucleases.
2007
Platinum-catalyzed multistep reactions of indoles with alkynyl alcohols.
2007
Synthesis and biological properties of sequence-specific DNA-alkylating pyrrole-imidazole polyamides.
2006-12
DNA sequence recognition by an imidazole-containing isopropyl-substituted thiazole polyamide (thiazotropsin B).
2006-07-01
Electrolytic partial fluorination of organic compounds. 83. Anodic fluorination of N-substituted pyrroles and its synthetic applications to gem-difluorinated heterocyclic compounds.
2006-02-17
Dopamine/serotonin receptor ligands. 10: SAR Studies on azecine-type dopamine receptor ligands by functional screening at human cloned D1, D2L, and D5 receptors with a microplate reader based calcium assay lead to a novel potent D1/D5 selective antagonist.
2006-01-26
Investigation of noncovalent complexes between beta-cyclodextrin and polyamide acids containing N-methylpyrrole and N-methylimidazole by electrospray ionization mass spectrometry.
2006-01
Investigation of non-covalent complexes of HIV-1 promoter DNA and polyamides containing N-methylpyrrole by electrospray ionization mass spectrometry.
2006
Amino-catalyzed fragmentation characteristics of polyamides containing N-methylpyrrole and N-methylimidazole by electrospray negative ionization mass spectrometry.
2006
Direct synthesis of fused 1,2,3,4,5-pentathiepins.
2005-10-07
Studies on electrochemical oxidation mechanisms of polyamides containing N-methylpyrrole and N-methylimidazole by electrospray ionization tandem mass spectrometry.
2005-09-15
Ranking the reactivity of superelectrophilic heteroaromatics on the electrophilicity scale.
2005-08-05
Synthesis of some diguanidino 1-methyl-2,5-diaryl-1H-pyrroles as antifungal agents.
2005-08-01
N-Tfa- and N-Fmoc-(alpha-aminoacyl)benzotriazoles as chiral C-acylating reagents under Friedel-Crafts reaction conditions.
2005-06-24
Electrospray negative ionization mass spectrometry of polyamides containing N-methylpyrrole and N-methylimidazole.
2005-05
Analysis of noncovalent complexes between human telomeric DNA and polyamides containing N-methylpyrrole and N-methylimidazole by using electrospray ionization mass spectrometry.
2005-02-04
Oligonucleotide--minor groove binder 1:2 conjugates: side by side parallel minor groove binder motif in stabilization of DNA duplex.
2004-10
DNA minor-groove recognition by 3-methylthiophene/pyrrole pair.
2004-06
IR spectroscopy of N-methylpyrrole adsorbed on oxides--a probe of surface acidity.
2002-01-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:36:16 GMT 2025
Edited
by admin
on Mon Mar 31 19:36:16 GMT 2025
Record UNII
NG5GPN98ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYLPYRROLE
Systematic Name English
NSC-65440
Preferred Name English
1-METHYL-1H-PYRROLE
Systematic Name English
1H-PYRROLE, 1-METHYL-
Systematic Name English
PYRROLE, 1-METHYL-
Systematic Name English
N-METHYLPYRROLE
Systematic Name English
Code System Code Type Description
MESH
C096654
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
PUBCHEM
7304
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
FDA UNII
NG5GPN98ZG
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
NSC
65440
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID3052648
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-513-7
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY
CAS
96-54-8
Created by admin on Mon Mar 31 19:36:16 GMT 2025 , Edited by admin on Mon Mar 31 19:36:16 GMT 2025
PRIMARY