chempirical

Ethyl N-(2-cyanoacetyl)carbamate

C6H8N2O3CAS 6629-04-5156.14 g/mol

Open in Covalent MOL file
OONHON
Nitrile

Properties

Molecular formula
C6H8N2O3
Molar mass
156.14 g/mol
Exact mass
156.0535 Da
Melting point
167–168 °C
logP
1.01Crippen estimate
Polar surface area
82.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
6629-04-5
SMILES
CCOC(=O)N=C(O)CC#N
InChIKey
HSOGVWWWGVFXGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)

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Names and synonyms

9 names
  • Carbamic acid, N-(2-cyanoacetyl)-, ethyl ester
  • Carbamic acid, (cyanoacetyl)-, ethyl ester
  • N-Cyanoacetylurethane
  • Ethyl cyanoacetylcarbamate
  • Cyanoacetylurethan
  • N-Carbethoxy-2-cyanoacetamide
  • Ethyl N-(cyanoacetyl)carbamate
  • NSC 59709
  • Ethyl (2-cyanoacetamido)formate

Work with Ethyl N-(2-cyanoacetyl)carbamate

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

Ethyl cyanoacetate105-56-650 % similar N-(Aminocarbonyl)-2-cyanoacetamide1448-98-245 % similar Diethyl azodicarboxylate1972-28-744 % similar Ethoxycarbonyl isothiocyanate16182-04-042 % similar 2-Ethoxyethyl 2-cyanoacetate32804-77-641 % similar Cyanoacetic acid hydrazide140-87-441 % similar Ethyl 2,3-dicyanopropionate40497-11-840 % similar Ethyl cyanohydroxyiminoacetate3849-21-640 % similar

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

Same formula

Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-0 Dimethylbarbituric acid769-42-6

Elsewhere

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