Summary

IMPPAT Phytochemical identifier: IMPHY006689

Phytochemical name: 2-Methylindole

Synonymous chemical names:
2(or_3)-methylindole, 2-methylindole

External chemical identifiers:
CID:7224, ChEMBL:CHEMBL259419, ChEBI:49402, ZINC:ZINC000001088076, FDASRS:I7CN58827I, SureChEMBL:SCHEMBL12420, MolPort-000-157-236

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Chemical structure information

SMILES:
Cc1cc2c([nH]1)cccc2

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

InChIKey:
BHNHHSOHWZKFOX-UHFFFAOYSA-N

DeepSMILES:
Ccccc[nH]5)cccc6

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: -1.049

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Chemical structure download