chempirical

Methyl indole-3-carboxylate

C10H9NO2CAS 942-24-5175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
1.95Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
942-24-5
SMILES
COC(=O)C1=CNC2=CC=CC=C21
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3

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Work with Methyl 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

Methyl indolyl-3-glyoxylate18372-22-066 % similar Ethyl indole-3-carboxylate776-41-066 % similar Methyl 1H-indole-4-carboxylate39830-66-565 % similar 5-Methylindole-3-carboxylic acid methyl ester227960-12-564 % similar Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate808137-94-260 % similar 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester448906-42-160 % similar 3-Acetylindole703-80-058 % similar Indole-3-carboxylic acid771-50-658 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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