Summary

IMPPAT Phytochemical identifier: IMPHY012105

Phytochemical name: Cyclopentene

Synonymous chemical names:
cyclopentene

External chemical identifiers:
CID:8882, ChEMBL:CHEMBL1797299, ChEBI:49155, ZINC:ZINC000001680735, FDASRS:ONM2CKV81Z, SureChEMBL:SCHEMBL9112, MolPort-001-759-289

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Chemical structure information

SMILES:
C1CC=CC1

InChI:
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2

InChIKey:
LPIQUOYDBNQMRZ-UHFFFAOYSA-N

DeepSMILES:
CCC=CC5

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 Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.805

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Chemical structure download