Summary

IMPPAT Phytochemical identifier: IMPHY017403

Phytochemical name: Methyl 2-pentenoate

Synonymous chemical names:
methyl(e)-pent-2-enoate

External chemical identifiers:
CID:5364718, ZINC:ZINC000002508321, SureChEMBL:SCHEMBL690239, MolPort-000-157-382

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Chemical structure information

SMILES:
CC/C=C/C(=O)OC

InChI:
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4+

InChIKey:
MBAHGFJTIVZLFB-SNAWJCMRSA-N

DeepSMILES:
CC/C=C/C=O)OC

Functional groups:
C/C=C/C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.414

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Chemical structure download