Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate

C₁₁H₁₅NO₃CAS 2386-26-7209.24 g/mol

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Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.24 g/mol
Exact mass: 209.1052 Da
Melting point: 143 °C
logP: 2.01Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

2386-26-7

SMILES

CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C

InChIKey

ALRDOFWBPAZOCW-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3

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Names and synonyms

5 names

1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
NSC 10765
Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole

Work with Ethyl-4-acetyl-3,5-dimethylpyrrole-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

2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate86770-31-264 % similar Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-956 % similar Ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate54278-10-355 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-147 % similar 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-644 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-342 % similar Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-142 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-942 % similar

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

Same formula

Propoxur114-26-1 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 L-Tyrosine ethyl ester949-67-7

Elsewhere

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