Summary

IMPPAT Phytochemical identifier: IMPHY006862

Phytochemical name: Nornicotine, N-formyl

Synonymous chemical names:
nornicotine, n-formyl

External chemical identifiers:
CID:528369, MolPort-003-847-498

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Chemical structure information

SMILES:
O=CN1CCCC1c1cccnc1

InChI:
InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2

InChIKey:
GQLSEYOOXBRDFZ-UHFFFAOYSA-N

DeepSMILES:
O=CNCCCC5ccccnc6

Functional groups:
CN(C)C=O, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cncc(C2CCCN2)c1

Scaffold Graph/Node level:
C1CNCC(C2CCCN2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Pyrrolidinylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids, Ornithine alkaloids

NP Classifier Class: Pyridine alkaloids, Pyrrolidine alkaloids

NP-Likeness score: -0.192

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Chemical structure download