Summary

IMPPAT Phytochemical identifier: IMPHY017691

Phytochemical name: 2-Cyclopentylidenecyclopentanone

Synonymous chemical names:
cyclopentanone, 2-cyclopentylidene-

External chemical identifiers:
CID:69995, ZINC:ZINC000001694403, SureChEMBL:SCHEMBL5464779, MolPort-000-739-604

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Chemical structure information

SMILES:
O=C1CCCC1=C1CCCC1

InChI:
InChI=1S/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h1-7H2

InChIKey:
NYSYNXRPXJZYFY-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5=CCCCC5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1C1CCCC1

Scaffold Graph level:
CC1CCCC1C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.664

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Chemical structure download