Summary

IMPPAT Phytochemical identifier: IMPHY007717

Phytochemical name: 2-Butene

Synonymous chemical names:
but-2-ene

External chemical identifiers:
CID:62695, ChEBI:48365, ZINC:ZINC000071771985, FDASRS:017NGL487F, SureChEMBL:SCHEMBL1168

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Chemical structure information

SMILES:
C/C=C/C

InChI:
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+

InChIKey:
IAQRGUVFOMOMEM-ONEGZZNKSA-N

DeepSMILES:
C/C=C/C

Functional groups:
C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 0.723

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Chemical structure download