Methyl 2-pyrrolecarboxylate

C6H7NO2CAS 1193-62-0125.13 g/mol

Open in Covalent MOL file
OOHN
Ester

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
logP
0.80Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1193-62-0
SMILES
COC(=O)C1=CC=CN1
InChIKey
VONGYFFEWFJHNP-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl pyrrole-2-carboxylate

Work with Methyl 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl pyrrole-2-carboxylate2199-43-161 % similar Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-359 % similar 2-Acetylpyrrole1072-83-952 % similar Dimethyl phthalate131-11-350 % similar Methyl 1H-pyrazole-3-carboxylate15366-34-450 % similar Methyl 1H-imidazole-5-carboxylate17325-26-750 % similar Methyl 1H-indole-2-carboxylate1202-04-649 % similar Methyl 2,6-dichlorobenzoate14920-87-748 % 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 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 4-Methylpyrrole-2-carboxylic acid18711-59-6 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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