2,3-dimethylindole-1-carbonitrile

C11H10N2 — CID 2752627

IUPAC2,3-dimethylindole-1-carbonitrile
SMILESCc1c(C)n(C#N)c2ccccc12
InChIInChI=1S/C11H10N2/c1-8-9(2)13(7-12)11-6-4-3-5-10(8)11/h3-6H,1-2H3
InChIKeyKARKKGZHLYRKGA-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.59
Rot. Bonds

About 2,3-dimethylindole-1-carbonitrile

2,3-dimethylindole-1-carbonitrile (PubChem CID 2752627) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,3-dimethylindole-1-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylindole-1-carbonitrile
PubChem CID2752627
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2,3-dimethylindole-1-carbonitrile
SMILESCc1c(C)n(C#N)c2ccccc12
InChIInChI=1S/C11H10N2/c1-8-9(2)13(7-12)11-6-4-3-5-10(8)11/h3-6H,1-2H3
InChIKeyKARKKGZHLYRKGA-UHFFFAOYSA-N
XLogP2.59
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethylindole-1-carbonitrile 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-dimethylindole-1-carbonitrile?
The IUPAC name of 2,3-dimethylindole-1-carbonitrile (CID 2752627) is 2,3-dimethylindole-1-carbonitrile.
What is the SMILES notation for 2,3-dimethylindole-1-carbonitrile?
The canonical SMILES for 2,3-dimethylindole-1-carbonitrile is Cc1c(C)n(C#N)c2ccccc12.
What is the InChIKey of 2,3-dimethylindole-1-carbonitrile?
The InChIKey is KARKKGZHLYRKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-8-9(2)13(7-12)11-6-4-3-5-10(8)11/h3-6H,1-2H3.
What are the key properties of 2,3-dimethylindole-1-carbonitrile?
2,3-dimethylindole-1-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylindole-1-carbonitrile is sourced from PubChem (CID 2752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).