Summary

IMPPAT Phytochemical identifier: IMPHY017076

Phytochemical name: 6-Methylindole

Synonymous chemical names:
6-methyl-indole

External chemical identifiers:
CID:137928, ZINC:ZINC000002141020, FDASRS:QTM6OJZ56S, SureChEMBL:SCHEMBL11994, MolPort-016-633-519

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Chemical structure information

SMILES:
Cc1ccc2c(c1)[nH]cc2

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

InChIKey:
ONYNOPPOVKYGRS-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)[nH]cc5

Functional groups:
c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: -0.698

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Chemical structure download