1-Methyl-1H-pyrrole-2-carboxylic acid
Properties
- Molecular formula
- C6H7NO2
- Molar mass
- 125.13 g/mol
- Exact mass
- 125.0477 Da
- Melting point
- 135–136 °C
- Boiling point
- 135–137 °C
- logP
- 0.72Crippen estimate
- Polar surface area
- 42.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
6973-60-0SMILES
Cn1cccc1C(=O)OInChIKey
ILAOVOOZLVGAJF-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Pyrrole-2-carboxylic acid, 1-methyl-
- Pyrrole-2-carboxylic acid, 1-methyl-
- N-Methyl-2-pyrrolecarboxylic acid
- 1-Methyl-2-pyrrolecarboxylic acid
- NSC 40289
- N-Methyl-2-pyrrolcarboxylic acid
Work with 1-Methyl-1H-pyrrole-2-carboxylic acid
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
2-Acetyl-1-methylpyrrole932-16-158 % similar
1-Methyl-1H-pyrrole-2-acetic acid21898-59-947 % similar
1-Methyl-1H-indole-2-carboxylic acid16136-58-646 % similar
1-Methyl-1H-imidazole-2-carboxylic acid20485-43-246 % similar
Imidazo[1,2-A]pyridine-3-carboxylic acid6200-60-842 % similar
1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-242 % similar
Phthalic acid88-99-340 % similar
1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-139 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds