chempirical

Ethyl 1-methylimidazole-2-carboxylate

C7H10N2O2CAS 30148-21-1154.17 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
Melting point
43–45 °C
Boiling point
110 °C (at 0.5 Torr)
logP
0.60Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
30148-21-1
SMILES
CCOC(=O)c1nccn1C
InChIKey
NOTZYDYZBOBDFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3

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Names and synonyms

5 names
  • 1H-Imidazole-2-carboxylic acid, 1-methyl-, ethyl ester
  • Imidazole-2-carboxylic acid, 1-methyl-, ethyl ester
  • RGW 811
  • Ethyl 1-methyl-1H-imidazole-2-carboxylate
  • 1-Methyl-1H-imidazole-2-carboxylic acid ethyl ester

Work with Ethyl 1-methylimidazole-2-carboxylate

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

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-250 % similar Ethyl 2-pyridinecarboxylate2524-52-946 % similar Ethyl isonicotinate1570-45-246 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-846 % similar Diethyl terephthalate636-09-944 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-444 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-444 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-243 % similar

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

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-0 4-Carbethoxy-5-methylimidazole51605-32-4

Elsewhere

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