Summary

IMPPAT Phytochemical identifier: IMPHY016214

Phytochemical name: Cyclopentanone, 2-(1-methylpropyl)-

Synonymous chemical names:
2-(1-methylpropyl)cyclopentanone

External chemical identifiers:
CID:558511, SureChEMBL:SCHEMBL10453942

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Chemical structure information

SMILES:
CCC(C1CCCC1=O)C

InChI:
InChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3

InChIKey:
WVPBKXPDHMXIKD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC5=O))))))C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.016

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Chemical structure download