chempirical

Oxolane-3-carbonitrile

C5H7NOCAS 14631-44-897.12 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C5H7NO
Molar mass
97.12 g/mol
Exact mass
97.0528 Da
logP
0.55Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
14631-44-8
SMILES
C1COCC1C#N
InChIKey
OANDNNNKGULGJK-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h5H,1-2,4H2

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Names and synonyms

1 names
  • 3-Furancarbonitrile, tetrahydro-

Work with Oxolane-3-carbonitrile

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

Tetrahydro-2H-pyran-4-carbonitrile4295-99-271 % similar Cyclopropyl cyanide5500-21-048 % similar Cyclopentanecarbonitrile4254-02-843 % similar Cyclobutanecarbonitrile4426-11-343 % similar Cyclohexanecarbonitrile766-05-242 % similar (S)-3-Aminotetrahydrofuran104530-79-240 % similar (R)-3-Aminotetrahydrofuran111769-26-740 % similar 4-Ethynyltetrahydro-2H-py...1202245-65-538 % similar

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

Same formula

3,5-Dimethylisoxazole300-87-8 3-Ethoxy-2-propenenitrile61310-53-0 2-Furanmethanamine617-89-0 2,4-Dimethyloxazole7208-05-1

Elsewhere

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