chempirical

3-Ethoxy-2-propenenitrile

C5H7NOCAS 61310-53-097.12 g/mol

Open in Covalent MOL file
ON
AlkeneEtherNitrile

Properties

Molecular formula
C5H7NO
Molar mass
97.12 g/mol
Exact mass
97.0528 Da
Density
0.925 g/mL (at 25 °C)
Boiling point
71–72 °C (at 8 Torr)
logP
1.06Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
61310-53-0
SMILES
CCOC=CC#N
InChIKey
HUPVIAINOSTNBJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Propenenitrile, 3-ethoxy-
  • Acrylonitrile, 3-ethoxy-
  • 3-Ethoxyacrylonitrile
  • β-Ethoxyacrylonitrile
  • NSC 27790

Work with 3-Ethoxy-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-Methoxy-2-propenenitrile60838-50-848 % similar Ethyl 1-propenyl ether928-55-246 % similar (1Z)-1-Bromo-2-ethoxyethene23521-49-542 % similar 2-(Ethoxymethylene)propanedinitrile123-06-841 % similar 3-Ethoxy-2-propenoyl chloride6191-99-739 % similar (2E)-2-Butenedinitrile764-42-138 % similar 2-Butenenitrile4786-20-338 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-336 % similar

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

Same formula

3,5-Dimethylisoxazole300-87-8 2-Furanmethanamine617-89-0 2,4-Dimethyloxazole7208-05-1

Elsewhere

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