Summary

IMPPAT Phytochemical identifier: IMPHY016745

Phytochemical name: 1-Ethyl-2-methylcyclopentene

Synonymous chemical names:
methyl ethyl cyclopentene

External chemical identifiers:
CID:88243, ZINC:ZINC000002575437, SureChEMBL:SCHEMBL914857

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Chemical structure information

SMILES:
CCC1=C(C)CCC1

InChI:
InChI=1S/C8H14/c1-3-8-6-4-5-7(8)2/h3-6H2,1-2H3

InChIKey:
MMYZGQDXYZNAQW-UHFFFAOYSA-N

DeepSMILES:
CCC=CC)CCC5

Functional groups:
CC(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: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 0.868

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Chemical structure download