Ethyl 1H-indole-2-carboxylate

C11H11NO2CAS 3770-50-1189.21 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
122–125 °C
logP
2.34Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3770-50-1
SMILES
CCOC(=O)c1cc2ccccc2[nH]1
InChIKey
QQXQAEWRSVZPJM-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole-2-carboxylic acid, ethyl ester
  • Indole-2-carboxylic acid, ethyl ester
  • Ethyl indole-2-carboxylate
  • 2-Carbethoxyindole
  • 2-Ethoxycarbonylindole
  • NSC 10076

Reactions

Work with Ethyl 1H-indole-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 5-methyl-1H-indole-2-carboxylate16382-15-368 % similar Ethyl 6-bromoindole-2-carboxylate103858-53-367 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-067 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-867 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-167 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-167 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-767 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethoxy-1H-indole-3-carbaldehyde169789-47-3 β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1-Methyl-3-indoleacetic acid1912-48-7 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 5-Methylindole-3-carboxylic acid methyl ester227960-12-5 Isopropylphthalimide304-17-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook