skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > 3-cyano-2-butanone

Preferred term

3-cyano-2-butanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C5H7NO

has_functional_parent

has_role

inchi

  • InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3

inchikey

  • AMQCWPDDXYOEER-UHFFFAOYSA-N

mass

  • 97.11520

monoisotopicmass

  • 97.05276

smiles

  • CC(C#N)C(C)=O

subset

  • 3_STAR

synonym EXACT

  • 2-methyl-3-oxobutanenitrile

synonym RELATED

  • 2-methyl-3-keto-butyronitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87599

Download this concept:

RDF/XML TURTLE JSON-LD