Summary

IMPPAT Phytochemical identifier: IMPHY016641

Phytochemical name: Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)-

Synonymous chemical names:
ethanone 1-(2-methyl-1-cyclopenten-1-yl)-

External chemical identifiers:
CID:137847, ChEBI:88406, SureChEMBL:SCHEMBL1785405

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Chemical structure information

SMILES:
CC1=C(CCC1)C(=O)C

InChI:
InChI=1S/C8H12O/c1-6-4-3-5-8(6)7(2)9/h3-5H2,1-2H3

InChIKey:
HDURLXYBKGWETC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC5)))C=O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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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: 0.59

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Chemical structure download