chempirical

5-Ethoxy-1H-indole-3-carbaldehyde

C11H11NO2CAS 169789-47-3189.21 g/mol

Open in Covalent MOL file
ONHO
AldehydeEther

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
logP
2.38Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
169789-47-3
SMILES
CCOC1=CC2=C(C=C1)NC=C2C=O
InChIKey
MSEZSIQZGXBEDM-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-2-14-9-3-4-11-10(5-9)8(7-13)6-12-11/h3-7,12H,2H2,1H3

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Work with 5-Ethoxy-1H-indole-3-carbaldehyde

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-carboxaldehyde10601-19-167 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-665 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-854 % similar 5-Bromoindole-3-carboxaldehyde877-03-254 % similar 3-Formyl-1H-indole-5-carboxylic acid methyl ester197506-83-551 % similar 3-Formyl-1H-indole-5-carbonitrile17380-18-650 % similar 4-Ethoxybenzaldehyde10031-82-049 % similar Indole-3-carbaldehyde487-89-849 % similar

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

Same formula

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 Ethyl indole-5-carboxylate32996-16-0

Elsewhere

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