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

C11H15NO3CAS 2386-26-7209.24 g/mol

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OOHNO
EsterKetone

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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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

Weigh it out

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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

2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-581 % similar 2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate86770-31-264 % similar 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid5442-91-163 % 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 Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate94461-44-647 % similar 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propoxur114-26-1 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 N-Benzyloxycarbonyl-D-alaninol61425-27-2 Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6 (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-8

Elsewhere

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