chempirical

Isocyanoethane

C3H5NCAS 624-79-355.08 g/mol

Open in Covalent MOL file
C−N+

Properties

Molecular formula
C3H5N
Molar mass
55.08 g/mol
Exact mass
55.0422 Da
logP
0.93Crippen estimate
Polar surface area
4.4 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
624-79-3
SMILES
[C-]#[N+]CC
InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3

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

Names and synonyms

4 names
  • Ethane, isocyano-
  • Ethyl isocyanide
  • Ethyl carbylamine
  • Ethyl isonitrile

Reactions

Work with Isocyanoethane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl isocyanide2769-64-440 % similar

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

Same formula

Propionitrile107-12-0 Propargylamine2450-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook