chempirical

3-Formyl-1H-indole-5-carboxylic acid methyl ester

C11H9NO3CAS 197506-83-5203.20 g/mol

Open in Covalent MOL file
OONHO
AldehydeEster

Properties

Molecular formula
C11H9NO3
Molar mass
203.20 g/mol
Exact mass
203.0582 Da
logP
1.77Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
197506-83-5
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2C=O
InChIKey
UGLRSYDAOVKFIJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-6,12H,1H3

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Names and synonyms

1 names
  • Methyl 3-formyl-1H-indole-5-carboxylate

Work with 3-Formyl-1H-indole-5-carboxylic acid methyl ester

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

5-Methoxyindole-3-carboxaldehyde10601-19-158 % similar Methyl 3-formyl-4-hydroxybenzoate24589-99-956 % similar Methyl indole-5-carboxylate1011-65-051 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-351 % similar Methyl 3-formyl-4-nitrobenzoate 97148625-35-850 % similar Methyl 4-formyl-3-nitrobenzoate153813-69-550 % similar Methyl 4-formylbenzoate1571-08-050 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-850 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 2-[(2S)-2-Oxiranylmethyl]-1H-isoindole-1,3(2H)-dione161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0

Elsewhere

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