Oxolane-3-carbonitrile

C₅H₇NOCAS 14631-44-897.12 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₅H₇NO
Molar mass: 97.12 g/mol
Exact mass: 97.0528 Da
logP: 0.55Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

Weigh it out

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

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 4-Cyanocyclohexanone cyclic ethylene acetal69947-09-741 % similar (S)-3-Aminotetrahydrofuran104530-79-240 % similar (R)-3-Aminotetrahydrofuran111769-26-740 % 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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