2-(3-methyl-1-phenylindol-2-yl)acetonitrile

C17H14N2 — CID 23457308

IUPAC2-(3-methyl-1-phenylindol-2-yl)acetonitrile
SMILESCc1c(CC#N)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N2/c1-13-15-9-5-6-10-17(15)19(16(13)11-12-18)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyIRSBSVWUDWKVJJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.01
Rot. Bonds2

About 2-(3-methyl-1-phenylindol-2-yl)acetonitrile

2-(3-methyl-1-phenylindol-2-yl)acetonitrile (PubChem CID 23457308) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-methyl-1-phenylindol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-1-phenylindol-2-yl)acetonitrile
PubChem CID23457308
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(3-methyl-1-phenylindol-2-yl)acetonitrile
SMILESCc1c(CC#N)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N2/c1-13-15-9-5-6-10-17(15)19(16(13)11-12-18)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyIRSBSVWUDWKVJJ-UHFFFAOYSA-N
XLogP4.01
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-1-phenylindol-2-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-(3-methyl-1-phenylindol-2-yl)acetonitrile?
The IUPAC name of 2-(3-methyl-1-phenylindol-2-yl)acetonitrile (CID 23457308) is 2-(3-methyl-1-phenylindol-2-yl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-1-phenylindol-2-yl)acetonitrile?
The canonical SMILES for 2-(3-methyl-1-phenylindol-2-yl)acetonitrile is Cc1c(CC#N)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-methyl-1-phenylindol-2-yl)acetonitrile?
The InChIKey is IRSBSVWUDWKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-15-9-5-6-10-17(15)19(16(13)11-12-18)14-7-3-2-4-8-14/h2-10H,11H2,1H3.
What are the key properties of 2-(3-methyl-1-phenylindol-2-yl)acetonitrile?
2-(3-methyl-1-phenylindol-2-yl)acetonitrile has a molecular weight of 246.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-phenylindol-2-yl)acetonitrile is sourced from PubChem (CID 23457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).