3-Methoxy-2-propenenitrile

C₄H₅NOCAS 60838-50-883.09 g/mol

Open in Covalent MOL file

Alkene Ether Nitrile

Properties

Molecular formula: C₄H₅NO
Molar mass: 83.09 g/mol
Exact mass: 83.0371 Da
logP: 0.67Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

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 irritation98.1% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P403+P233, P405, P501

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 (2E)-2-Butenedinitrile764-42-144 % 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

PubChem CAS Common Chemistry NIST WebBook