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CHEBI:183740 - 2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile

ChEBI IDCHEBI:183740
ChEBI Name2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H11FN2O
Net Charge0
Average Mass230.242
Monoisotopic Mass230.08554
SMILESN#CC(=CNc1ccc(F)cc1)C(=O)C1CC1
InChIInChI=1S/C13H11FN2O/c14-11-3-5-12(6-4-11)16-8-10(7-15)13(17)9-1-2-9/h3-6,8-9,16H,1-2H2
InChIKeyHZBHZVSXZFCDJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile (CHEBI:183740) is a substituted aniline (CHEBI:48975)
IUPAC Name 
2-(cyclopropanecarbonyl)-3-(4-luoroanilino)prop-2-enenitrile
Manual XrefsDatabases
3861952ChemSpider