chempirical

Ethyl indole-3-carboxylate

C11H11NO2CAS 776-41-0189.21 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
82 °C
logP
2.34Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
776-41-0
SMILES
CCOC(=O)c1c[nH]c2ccccc12
InChIKey
XOUHVMVYFOXTMN-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Indole-3-carboxylic acid, ethyl ester
  • Indole-3-carboxylic acid, ethyl ester
  • NSC 63796
  • Ethyl 1H-indole-3-carboxylate
  • 3-(Ethoxycarbonyl)indole

Work with Ethyl indole-3-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

Diethyl phthalate84-66-260 % similar Ethyl 1H-indole-3-acetate778-82-558 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-456 % similar Ethyl 3-indazolecarboxylate4498-68-456 % similar 3-Acetylindole703-80-054 % similar Indole-3-carboxylic acid771-50-654 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-253 % similar Ethyl 2-bromobenzoate6091-64-153 % similar

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

Same formula

β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 N-Isopropylphthalimide304-17-6 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-8 Ethyl 1H-indole-2-carboxylate3770-50-1

Elsewhere

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