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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
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.
2004 Jun 3
Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect.
2004 Mar 15
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors.
2005 Sep 15
Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
2005 Sep 30
1H NMR spectral studies on the polymerization mechanism of indole and its derivatives.
2006 Mar 1
Biological targets for isatin and its analogues: Implications for therapy.
2007 Jun
An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.
2010 Apr 8
Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins.
2010 Jan
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:36:11 GMT 2023
Edited
by admin
on Fri Dec 15 19:36:11 GMT 2023
Record UNII
KT52363RI5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLINDOLE
Systematic Name English
NSC-522562
Code English
Code System Code Type Description
WIKIPEDIA
5-METHYLINDOLE
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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NSC
522562
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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CAS
614-96-0
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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ECHA (EC/EINECS)
210-400-9
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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FDA UNII
KT52363RI5
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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EPA CompTox
DTXSID6060638
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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PUBCHEM
11978
Created by admin on Fri Dec 15 19:36:11 GMT 2023 , Edited by admin on Fri Dec 15 19:36:11 GMT 2023
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