Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018004

Phytochemical name: 2-(2-Methylpropylidene)cyclohexanone

Synonymous chemical names:
2-(2-Methylpropylidene)cyclohexanone

Chemical structure information

SMILES:
CC(C=C1CCCCC1=O)C

InChI:
InChI=1S/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3

InChIKey:
WVANVZNUDWLCTQ-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCCCC6=O))))))))C

Functional groups:
CC=C(C)C(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1=O

Scaffold Graph/Node level:
CC1CCCCC1O

Scaffold Graph level:
CC1CCCCC1C

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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: Monocyclic monoterpenoids

NP-Likeness score: 0.482

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Chemical structure download