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CHEBI:35939 - pent-2-enoic acid

Default Structure
ChEBI IDCHEBI:35939
ChEBI Namepent-2-enoic acid
Stars
DefinitionA pentenoic acid having the double bond at position 2.
Last Modified13 September 2024
DownloadsMolfile
FormulaC5H8O2
Net Charge0
Average Mass100.117
Monoisotopic Mass100.05243
SMILES[H]C(=CC(=O)O)CC
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)
InChIKeyYIYBQIKDCADOSF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
pent-2-enoic acid (CHEBI:35939) is a pentenoic acid (CHEBI:25897)
pent-2-enoic acid (CHEBI:35939) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
pent-2-enoic acid (CHEBI:35939) is conjugate acid of pent-2-enoate (CHEBI:231930)
Incoming Relation(s)
cis-acetylacrylic acid (CHEBI:28993) has functional parent pent-2-enoic acid (CHEBI:35939)
ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) has functional parent pent-2-enoic acid (CHEBI:35939)
cis-pent-2-enoic acid (CHEBI:38367) is a pent-2-enoic acid (CHEBI:35939)
trans-pent-2-enoic acid (CHEBI:38366) is a pent-2-enoic acid (CHEBI:35939)
pent-2-enoate (CHEBI:231930) is conjugate base of pent-2-enoic acid (CHEBI:35939)
IUPAC Name 
pent-2-enoic acid
Synonyms  Source
2-pentenoic acidNIST Chemistry WebBook
C5:1, n-3ChEBI
Pent-2-ensäureChEBI
PropylidenessigsäureChEBI
α-Butylen-α-carbonsäureChEBI
α-pentenoic acidChEBI
Manual XrefsDatabases
FDB010036FooDB
LMFA01030005LIPID MAPS
Registry NumbersSources
Reaxys:1720310Reaxys
CAS:626-98-2ChemIDplus
CAS:626-98-2NIST Chemistry WebBook
Citations