Summary

IMPPAT Phytochemical identifier: IMPHY017085

Phytochemical name: 3-Ethylcyclopentanone

Synonymous chemical names:
3-ethylcyclopentanone

External chemical identifiers:
CID:139121, SureChEMBL:SCHEMBL1523518, MolPort-011-284-955

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Chemical structure information

SMILES:
CCC1CCC(=O)C1

InChI:
InChI=1S/C7H12O/c1-2-6-3-4-7(8)5-6/h6H,2-5H2,1H3

InChIKey:
XERALSLWOPMNRJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)C5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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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: 0.936

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Chemical structure download