2-(5-Methoxy-1H-indol-3-yl)acetonitrile

C₁₁H₁₀N₂OCAS 2436-17-1186.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀N₂O
Molar mass: 186.21 g/mol
Exact mass: 186.0793 Da
logP: 2.24Crippen estimate
Polar surface area: 48.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

2436-17-1

SMILES

COC1=CC2=C(C=C1)NC=C2CC#N

InChIKey

ZBQCXEREMRGOCO-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3

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Names and synonyms

1 names

5-Methoxyindole-3-acetonitrile

Work with 2-(5-Methoxy-1H-indol-3-yl)acetonitrile

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-[5-(Benzyloxy)-1H-indol-3-yl]acetonitrile2436-15-964 % similar 5-Methoxytryptamine608-07-161 % similar 5-Methoxytryptophol712-09-461 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-360 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-058 % similar (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-358 % similar Indole-3-acetonitrile771-51-758 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-357 % similar

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

Same formula

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-2 6-Methoxy-1H-indole-3-acetonitrile23084-35-7 6'-Methoxy-2,3'-bipyridyl381725-49-1 2-Naphthoic acid hydrazide39627-84-4 1-Naphthoic hydrazide43038-45-5 3-Acetyl-2-methyl-1,6-naphthyridine52816-65-6

Elsewhere

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