chempirical

3-Methoxy-2-propenenitrile

C4H5NOCAS 60838-50-883.09 g/mol

Open in Covalent MOL file
ON
AlkeneEtherNitrile

Properties

Molecular formula
C4H5NO
Molar mass
83.09 g/mol
Exact mass
83.0371 Da
logP
0.67Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
60838-50-8
SMILES
COC=CC#N
InChIKey
IPCRTSDORDQHRO-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Propenenitrile, 3-methoxy-
  • Acrylonitrile, 3-methoxy-
  • 3-Methoxyacrylonitrile
  • β-Methoxyacrylonitrile

Work with 3-Methoxy-2-propenenitrile

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

3-Ethoxy-2-propenenitrile61310-53-048 % similar 2-Butenenitrile4786-20-343 % similar 1-Methoxypropene7319-16-638 % similar 4-Methoxycinnamonitrile28446-68-634 % similar 1-Methoxy-1,3-butadiene3036-66-632 % similar 1,3,3-Trimethoxy-1-propene17576-35-131 % similar 4,4,4-Trifluoro-2-butenenitrile406-86-031 % similar

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

Same formula

Allyl isocyanate1476-23-9 4-Oxobutanenitrile3515-93-3 5-Methylisoxazole5765-44-6 4-Methyloxazole693-93-6

Elsewhere

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