chempirical

Ethyl 5-methylpyrrole-2-carboxylate

C8H11NO2CAS 3284-51-3153.18 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
100 °C
logP
1.50Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
3284-51-3
SMILES
CCOC(=O)c1ccc(C)[nH]1
InChIKey
RIUNZXNCMZMRMP-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h4-5,9H,3H2,1-2H3

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Names and synonyms

5 names
  • 1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester
  • Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester
  • NSC 81362
  • 5-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester
  • Ethyl 5-methyl-1H-pyrrole-2-carboxylate

Work with Ethyl 5-methylpyrrole-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

Diethyl terephthalate636-09-952 % similar Ethyl 2-amino-4-thiazolecarboxylate5398-36-751 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-050 % similar Ethyl 4-methylbenzoate94-08-649 % similar Diethyl phthalate84-66-249 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-248 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-948 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-448 % 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 (αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,4-Dimethoxyaniline2735-04-8 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6 Dopamine51-61-6

Elsewhere

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