Summary

IMPPAT Phytochemical identifier: IMPHY000139

Phytochemical name: 2-Methyl-3-butenal

Synonymous chemical names:
2-methyl-3-butenal

External chemical identifiers:
CID:11182569, SureChEMBL:SCHEMBL262580

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Chemical structure information

SMILES:
C=CC(C=O)C

InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3

InChIKey:
MFGWABPEZWYGGK-UHFFFAOYSA-N

DeepSMILES:
C=CCC=O))C

Functional groups:
C=CC, CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.477

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Chemical structure download