chempirical

6-Methoxy-1H-indole-3-acetonitrile

C11H10N2OCAS 23084-35-7186.21 g/mol

Open in Covalent MOL file
ONNH
EtherNitrile

Properties

Molecular formula
C11H10N2O
Molar mass
186.21 g/mol
Exact mass
186.0793 Da
Melting point
111–112 °C
logP
2.24Crippen estimate
Polar surface area
48.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
23084-35-7
SMILES
COc1ccc2c(CC#N)c[nH]c2c1
InChIKey
TXDMKKKJRXIVNO-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4H2,1H3

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Names and synonyms

3 names
  • 1H-Indole-3-acetonitrile, 6-methoxy-
  • Indole-3-acetonitrile, 6-methoxy-
  • 2-(6-Methoxy-1H-indol-3-yl)acetonitrile

Work with 6-Methoxy-1H-indole-3-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

6-Methoxytryptamine3610-36-462 % similar 6-Fluoro-1H-indole-3-acetonitrile2341-25-560 % similar Indole-3-acetonitrile771-51-756 % similar (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-353 % similar 5-Methoxytryptamine608-07-149 % similar 5-Methoxytryptophol712-09-449 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-348 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-047 % 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 2-Naphthoic acid hydrazide39627-84-4 1-Naphthoic hydrazide43038-45-5

Elsewhere

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