Ethyl 5-methyl-1H-indole-2-carboxylate

C₁₂H₁₃NO₂CAS 16382-15-3203.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₃NO₂
Molar mass: 203.24 g/mol
Exact mass: 203.0946 Da
logP: 2.65Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

16382-15-3

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C

InChIKey

KMVFKXFOPNKHEM-UHFFFAOYSA-N

InChI

InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3

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Names and synonyms

1 names

Ethyl 5-methylindole-2-carboxylate

Work with Ethyl 5-methyl-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

2-(Ethoxycarbonyl)-5-bromo-indole16732-70-070 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-170 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-770 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-070 % similar Ethyl 1H-indole-2-carboxylate3770-50-168 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-968 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-363 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-463 % similar

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

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 N-Butylphthalimide1515-72-6 1-Benzoyl-4-piperidone24686-78-0 Benzyl 3-pyrroline-1-carboxylate31970-04-4 Ethyl 1H-indole-3-acetate778-82-5 Damc87-01-4

Elsewhere

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