Summary

IMPPAT Phytochemical identifier: IMPHY017440

Phytochemical name: Ethanone, 1-(methylenecyclopropyl)-

Synonymous chemical names:
1-(methylenecyclopropyl)- ethanone

External chemical identifiers:
CID:538520, ChEBI:131398

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Chemical structure information

SMILES:
CC(=O)C1CC1=C

InChI:
InChI=1S/C6H8O/c1-4-3-6(4)5(2)7/h6H,1,3H2,2H3

InChIKey:
ALSUBMCOHAICPJ-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCC3=C

Functional groups:
C=C1CC1, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC1

Scaffold Graph/Node level:
CC1CC1

Scaffold Graph level:
CC1CC1

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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: 1.53

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Chemical structure download