2-(1-methoxyindol-3-yl)acetonitrile

C11H10N2O — CID 11954881

IUPAC2-(1-methoxyindol-3-yl)acetonitrile
SMILESCOn1cc(CC#N)c2ccccc21
InChIInChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKeyLIJIPBYXIXTNLE-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.77
Rot. Bonds2

About 2-(1-methoxyindol-3-yl)acetonitrile

2-(1-methoxyindol-3-yl)acetonitrile (PubChem CID 11954881) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1-methoxyindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methoxyindol-3-yl)acetonitrile
PubChem CID11954881
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1-methoxyindol-3-yl)acetonitrile
SMILESCOn1cc(CC#N)c2ccccc21
InChIInChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKeyLIJIPBYXIXTNLE-UHFFFAOYSA-N
XLogP1.77
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxyindol-3-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyindol-3-yl)acetonitrile?
The IUPAC name of 2-(1-methoxyindol-3-yl)acetonitrile (CID 11954881) is 2-(1-methoxyindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-methoxyindol-3-yl)acetonitrile?
The canonical SMILES for 2-(1-methoxyindol-3-yl)acetonitrile is COn1cc(CC#N)c2ccccc21.
What is the InChIKey of 2-(1-methoxyindol-3-yl)acetonitrile?
The InChIKey is LIJIPBYXIXTNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3.
What are the key properties of 2-(1-methoxyindol-3-yl)acetonitrile?
2-(1-methoxyindol-3-yl)acetonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyindol-3-yl)acetonitrile is sourced from PubChem (CID 11954881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).