Summary

IMPPAT Phytochemical identifier: IMPHY017476

Phytochemical name: 1-Acetyl-1,4-dihydropyridine

Synonymous chemical names:
1-acetyl-1,4-dihydropyridine

External chemical identifiers:
CID:556800, SureChEMBL:SCHEMBL11492907

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Chemical structure information

SMILES:
CC(=O)N1C=CCC=C1

InChI:
InChI=1S/C7H9NO/c1-7(9)8-5-3-2-4-6-8/h3-6H,2H2,1H3

InChIKey:
YPZBIQKYSOYOGV-UHFFFAOYSA-N

DeepSMILES:
CC=O)NC=CCC=C6

Functional groups:
CC(=O)N1C=CCC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CNC=CC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.624

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Chemical structure download