chempirical

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

C9H13NO2CAS 2199-44-2167.21 g/mol

Open in Covalent MOL file
OOHN
Ester

Properties

Molecular formula
C9H13NO2
Molar mass
167.21 g/mol
Exact mass
167.0946 Da
logP
1.81Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2199-44-2
SMILES
CCOC(=O)C1=C(C=C(N1)C)C
InChIKey
IZSBSZYFPYIJDI-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H3

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Names and synonyms

2 names
  • 2,4-Dimethyl-5-carbethoxypyrrole
  • 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester

Work with Ethyl 3,5-dimethyl-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

Otava-bb bb71185609093284-47-756 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-855 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-055 % similar Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-355 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-354 % similar 3,5-Dimethylpyrrole-2-carboxylic acid4513-93-350 % similar 2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-549 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1 2,5-Dimethoxybenzenemethanamine3275-95-4

Elsewhere

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