Methyl 1-pyrrolecarboxylate
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
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
4277-63-8SMILES
COC(=O)n1cccc1InChIKey
MORALDOSFHZOQS-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3Weigh it out
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
N-T-Boc-pyrrole5176-27-254 % similar
Methyl 1-methylpyrrole-2-carboxylate37619-24-234 % similar
Dimethyl phthalate131-11-333 % similar
Dimethyl oxalate553-90-233 % similar
Dimethyl carbonate616-38-633 % similar
Methyl N-methyl-2-pyrrolylacetate51856-79-232 % similar
Methyl benzoate93-58-332 % similar
Dimethyl isophthalate1459-93-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.