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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N
Molecular Weight 131.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLINDOLE

SMILES

CC1=CC2=C(NC=C2)C=C1

InChI

InChIKey=YPKBCLZFIYBSHK-UHFFFAOYSA-N
InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3

HIDE SMILES / InChI

Molecular Formula C9H9N
Molecular Weight 131.1745
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.
2010-04-08
Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins.
2010-01
Biological targets for isatin and its analogues: Implications for therapy.
2007-06
1H NMR spectral studies on the polymerization mechanism of indole and its derivatives.
2006-03-01
Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
2005-09-30
Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors.
2005-09-15
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005-06
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.
2004-06-03
Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect.
2004-03-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:49:46 GMT 2025
Edited
by admin
on Mon Mar 31 19:49:46 GMT 2025
Record UNII
KT52363RI5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLINDOLE
Systematic Name English
NSC-522562
Preferred Name English
Code System Code Type Description
WIKIPEDIA
5-METHYLINDOLE
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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NSC
522562
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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CAS
614-96-0
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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ECHA (EC/EINECS)
210-400-9
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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FDA UNII
KT52363RI5
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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EPA CompTox
DTXSID6060638
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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PUBCHEM
11978
Created by admin on Mon Mar 31 19:49:46 GMT 2025 , Edited by admin on Mon Mar 31 19:49:46 GMT 2025
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