Summary

IMPPAT Phytochemical identifier: IMPHY016124

Phytochemical name: 1-Acetyl-4-isopropenylcyclopentene

Synonymous chemical names:
1-acethyl-4-isopropenyl-1-cyclopentene

External chemical identifiers:
CID:12634575, SureChEMBL:SCHEMBL6359659

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Chemical structure information

SMILES:
CC(=C)C1CC=C(C1)C(=O)C

InChI:
InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3

InChIKey:
BTXSVMBTNJSALB-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCC=CC5)C=O)C

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

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 1.871

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Chemical structure download