chempirical

Methyl 1-pyrrolecarboxylate

C6H7NO2CAS 4277-63-8125.13 g/mol

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OON

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
Boiling point
168–170 °C
logP
1.10Crippen estimate
Polar surface area
31.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
4277-63-8
SMILES
COC(=O)n1cccc1
InChIKey
MORALDOSFHZOQS-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3

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

Names and synonyms

5 names
  • 1H-Pyrrole-1-carboxylic acid, methyl ester
  • Pyrrole-1-carboxylic acid, methyl ester
  • N-(Methoxycarbonyl)pyrrole
  • N-Carbomethoxypyrrole
  • Methyl 1H-pyrrole-1-carboxylate

Work with Methyl 1-pyrrolecarboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl phthalate131-11-333 % similar Dimethyl carbonate616-38-633 % similar Methyl N-methyl-2-pyrrolylacetate51856-79-232 % similar Methyl benzoate93-58-332 % similar Dimethyl isophthalate1459-93-431 % similar Dimethyl terephthalate120-61-631 % similar Methyl (chlorosulfenyl)formate26555-40-831 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-431 % similar

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

Same formula

2-Cyanoethyl acrylate106-71-8 4-Methoxypyridine N-oxide1122-96-9 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7

Elsewhere

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