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CHEBI:756885 - isopentyl 2-cyanoacrylate

Default Structure
ChEBI IDCHEBI:756885
ChEBI Nameisopentyl 2-cyanoacrylate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC9H13NO2
Net Charge0
Average Mass167.208
Monoisotopic Mass167.09463
SMILESC=C(C#N)C(=O)OCCC(C)C
InChIInChI=1S/C9H13NO2/c1-7(2)4-5-12-9(11)8(3)6-10/h7H,3-5H2,1-2H3
InChIKeyGASDVTHQNCFANM-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)
isopentyl 2-cyanoacrylate (CHEBI:756885) is a nitrile (CHEBI:18379)
isopentyl 2-cyanoacrylate (CHEBI:756885) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Synonyms  Source
Isoamyl 2-cyanoacrylateChEMBL
Isopentyl 2-cyanoacrylateChEMBL