Methyl 2-pyrrolecarboxylate

C₆H₇NO₂CAS 1193-62-0125.13 g/mol

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Properties

Molecular formula: C₆H₇NO₂
Molar mass: 125.13 g/mol
Exact mass: 125.0477 Da
logP: 0.80Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

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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

Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-359 % similar 2-Acetylpyrrole1072-83-952 % similar Dimethyl phthalate131-11-350 % similar Methyl 1H-indole-2-carboxylate1202-04-649 % similar Methyl benzoate93-58-348 % similar Dimethyl terephthalate120-61-648 % similar Methyl 4-bromo-1H-pyrrole-2-carboxylate934-05-447 % similar Methyl 2,6-dimethoxybenzoate2065-27-247 % 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 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7 Methyl 1-pyrrolecarboxylate4277-63-8

Elsewhere

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