Summary

IMPPAT Phytochemical identifier: IMPHY005191

Phytochemical name: 1-Methyl-3,4-dihydroisoquinoline

Synonymous chemical names:
1-methyl-3,4-dihydropyrrolopyrazine

External chemical identifiers:
CID:231502, ZINC:ZINC000001641687, SureChEMBL:SCHEMBL30310, MolPort-001-790-154

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Chemical structure information

SMILES:
CC1=NCCc2c1cccc2

InChI:
InChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5H,6-7H2,1H3

InChIKey:
JZZLDIIDMFCOGF-UHFFFAOYSA-N

DeepSMILES:
CC=NCCcc6cccc6

Functional groups:
cC(C)=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=NCCc2ccccc21

Scaffold Graph/Node level:
C1CCC2CNCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydroisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.225

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Chemical structure download