Summary

IMPPAT Phytochemical identifier: IMPHY017227

Phytochemical name: 2-Methylindoline

Synonymous chemical names:
2-methyl-2,3-dihydroindole

External chemical identifiers:
CID:23305, ChEBI:166548, FDASRS:5GAL2SM4VV, SureChEMBL:SCHEMBL33268, MolPort-000-004-732

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Chemical structure information

SMILES:
CC1Cc2c(N1)cccc2

InChI:
InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3

InChIKey:
QRWRJDVVXAXGBT-UHFFFAOYSA-N

DeepSMILES:
CCCccN5)cccc6

Functional groups:
cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCN2

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: Indolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.381

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Chemical structure download