Ethyl N-cyanoacetimidate

C₅H₈N₂OCAS 1558-82-3112.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₂O
Molar mass: 112.13 g/mol
Exact mass: 112.0637 Da
logP: 0.92Crippen estimate
Polar surface area: 45.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1558-82-3

SMILES

CCOC(=NC#N)C

InChIKey

PLVWUINOWYHRAA-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3

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Names and synonyms

1 names

Ethyl N-cyanoethanimideate

Work with Ethyl N-cyanoacetimidate

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

Methyl N-cyanoacetimidate5652-84-654 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-341 % similar Ethyl cyanoformate623-49-438 % similar Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-236 % similar Ethyl cyanoacetate105-56-635 % similar Ethyl acetate141-78-633 % similar Ethyl cyanohydroxyiminoacetate3849-21-633 % similar 2-Ethoxy-1-propene926-66-933 % similar

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

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-(Hydroxymethyl)-5-methylimidazole29636-87-1 4,5-Dihydro-6-methyl-3(2H)-pyridazinone5157-08-4

Elsewhere

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