chempirical

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

C10H13NO3CAS 2199-59-9195.22 g/mol

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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

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

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 4-tert-Butyl-2-nitrophenol3279-07-0 O-Methyl-D-tyrosine39878-65-4 O-Benzyl-L-serine4726-96-9 O-(Phenylmethyl)serine5445-44-3 O-Methyl-L-tyrosine6230-11-1 α-Methyl-P-tyrosine658-48-0

Elsewhere

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