Summary

IMPPAT Phytochemical identifier: IMPHY016452

Phytochemical name: 5-Ethylcyclopentene-1-carbaldehyde

Synonymous chemical names:
5-ethyl-1-formylcyclopentene

External chemical identifiers:
CID:580057, SureChEMBL:SCHEMBL20981784

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Chemical structure information

SMILES:
CCC1CCC=C1C=O

InChI:
InChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3

InChIKey:
BXRHTYIYAZHIHF-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C5C=O

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

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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: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP-Likeness score: 1.872

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Chemical structure download