Ethyl 4-methyl-1H-pyrrole-2-carboxylate

C8H11NO2CAS 40611-85-6153.18 g/mol

Open in Covalent MOL file
OOHN
Ester

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
37–38 °C
logP
1.50Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
40611-85-6
SMILES
CCOC(=O)c1cc(C)c[nH]1
InChIKey
RWFKYBVNHRKZSN-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H3

Weigh it out

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Names and synonyms

5 names
  • 1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester
  • Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester
  • 4-Methyl-2-pyrrolecarboxylic acid ethyl ester
  • Ethyl 4-methyl-2-pyrrolecarboxylate
  • 4-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester

Work with Ethyl 4-methyl-1H-pyrrole-2-carboxylate

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 4-formyl-1H-pyrrole-2-carboxylate7126-57-062 % similar Ethyl 4-Nitropyrrole-2-carboxylate5930-92-757 % similar Ethyl pyrrole-2-carboxylate2199-43-157 % similar Ethyl imidazole-4-carboxylate23785-21-955 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-355 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-353 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-853 % similar Ethyl 4-methylbenzoate94-08-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Octopamine104-14-3 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (alphaR)-alpha-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,6-Dimethoxyaniline2734-70-5 2,4-Dimethoxyaniline2735-04-8 1-Cyanocyclobutanecarboxylic acid ethyl ester28246-87-9

Elsewhere

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