chempirical

Ethyl 4-formyl-1H-pyrrole-2-carboxylate

C8H9NO3CAS 7126-57-0167.16 g/mol

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OOOHN
AldehydeEster

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
106–107 °C
Boiling point
126–127 °C (at 0.05 Torr)
logP
1.00Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
7126-57-0
SMILES
CCOC(=O)c1cc(C=O)c[nH]1
InChIKey
WVSAWXIWWNJTAV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-2-12-8(11)7-3-6(5-10)4-9-7/h3-5,9H,2H2,1H3

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Names and synonyms

7 names
  • 1H-Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester
  • Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester
  • 2-Ethoxycarbonyl-4-formylpyrrole
  • NSC 272668
  • 4-Formylpyrrole-2-carboxylic acid ethyl ester
  • Ethyl 4-formyl-2-pyrrolecarboxylate
  • 4-Formyl-1H-pyrrole-2-carboxylic acid ethyl ester

Work with Ethyl 4-formyl-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

Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-662 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-447 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-044 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-344 % similar Diethyl phthalate84-66-244 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-943 % similar Ethyl 2-amino-4-thiazolecarboxylate5398-36-743 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-142 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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