chempirical

Ethyl indole-5-carboxylate

C11H11NO2CAS 32996-16-0189.21 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

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

Identifiers

CAS number
32996-16-0
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC=C2
InChIKey
PDXPRWCJESNIIT-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12H,2H2,1H3

Weigh it out

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

Work with Ethyl indole-5-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

Methyl indole-5-carboxylate1011-65-067 % similar Ethyl 2-naphthoate3007-91-860 % similar Diethyl terephthalate636-09-957 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-355 % similar 1-(1H-Indol-5-yl)ethanone53330-94-255 % similar Ethyl 4-methylbenzoate94-08-654 % similar Ethyl protocatechuate3943-89-354 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-653 % 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 N-Isopropylphthalimide304-17-6

Elsewhere

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