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

C10H13NO3CAS 2199-59-9195.22 g/mol

Open in Covalent MOL file
OONHO
AldehydeEster

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
165 °C
logP
1.62Crippen 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2199-59-9
SMILES
CCOC(=O)c1c(C)[nH]c(C=O)c1C
InChIKey
GDISALBEIGGPER-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3

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Names and synonyms

9 names
  • 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
  • Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
  • Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate
  • Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate
  • 2,4-Dimethyl-3-ethoxycarbonyl-5-formylpyrrole
  • 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
  • NSC 13426
  • 4-Ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde
  • Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Work with Ethyl 2-formyl-3,5-dimethylpyrrole-4-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-dicarbethoxypyrrole2436-79-567 % similar 2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate86770-31-260 % similar 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid5442-91-159 % similar Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-756 % similar 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid253870-02-955 % similar Vegf receptor 2 kinase inhibitor I15966-93-554 % similar Ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate54278-10-349 % similar N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide356068-86-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-4

Elsewhere

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