Summary

IMPPAT Phytochemical identifier: IMPHY008725

Phytochemical name: 3-Methylcyclopentene

Synonymous chemical names:
3-methylcyclopentene

External chemical identifiers:
CID:14263, SureChEMBL:SCHEMBL35628

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Chemical structure information

SMILES:
CC1CCC=C1

InChI:
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3

InChIKey:
CXOZQHPXKPDQGT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=C5

Functional groups:
CC=CC

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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: Olefins

NP-Likeness score: 2.706

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Chemical structure download