chempirical

4-Oxobutanenitrile

C4H5NOCAS 3515-93-383.09 g/mol

Open in Covalent MOL file
NO
AldehydeNitrile

Properties

Molecular formula
C4H5NO
Molar mass
83.09 g/mol
Exact mass
83.0371 Da
Boiling point
77 °C
logP
0.49Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3515-93-3
SMILES
N#CCCC=O
InChIKey
CGFGIKNLZTZJDE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Butanenitrile, 4-oxo-
  • Succinaldehydonitrile
  • Propionaldehyde, 3-cyano-
  • β-Cyanopropionaldehyde
  • 3-Cyanopropionaldehyde
  • 3-Formylpropionitrile
  • 3-Cyanopropanal
  • 4-Oxobutyronitrile
  • β-Cyanopropionic aldehyde

Work with 4-Oxobutanenitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Succinonitrile110-61-247 % similar Succinaldehyde638-37-947 % similar Hexanedial1072-21-542 % similar Glutaraldehyde111-30-842 % similar Adiponitrile111-69-342 % similar Dodecanedinitrile4543-66-240 % similar Octanedinitrile629-40-340 % similar Pimelonitrile646-20-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Allyl isocyanate1476-23-9 5-Methylisoxazole5765-44-6 3-Methoxy-2-propenenitrile60838-50-8 4-Methyloxazole693-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook