Summary

IMPPAT Phytochemical identifier: IMPHY006851

Phytochemical name: 9-Azabicyclo[3.3.1]nonan-3-one

Synonymous chemical names:
norpseudopelletierine

External chemical identifiers:
CID:145745, SureChEMBL:SCHEMBL16589, MolPort-020-172-766

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Chemical structure information

SMILES:
O=C1CC2CCCC(C1)N2

InChI:
InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2

InChIKey:
JIYPUEZSSJAXBO-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCC8)N6

Functional groups:
CC(C)=O, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC(C1)N2

Scaffold Graph/Node level:
OC1CC2CCCC(C1)N2

Scaffold Graph level:
CC1CC2CCCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

ClassyFire Subclass: Piperidinones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.246

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Chemical structure download