2,3-dimethyl-1H-indole-5-carbonitrile

C11H10N2 — CID 15483079

IUPAC2,3-dimethyl-1H-indole-5-carbonitrile
SMILESCc1[nH]c2ccc(C#N)cc2c1C
InChIInChI=1S/C11H10N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,1-2H3
InChIKeyMAQQEXCJSLDJFC-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.66
Rot. Bonds

About 2,3-dimethyl-1H-indole-5-carbonitrile

2,3-dimethyl-1H-indole-5-carbonitrile (PubChem CID 15483079) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole-5-carbonitrile
PubChem CID15483079
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2,3-dimethyl-1H-indole-5-carbonitrile
SMILESCc1[nH]c2ccc(C#N)cc2c1C
InChIInChI=1S/C11H10N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,1-2H3
InChIKeyMAQQEXCJSLDJFC-UHFFFAOYSA-N
XLogP2.66
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-1H-indole-5-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-dimethyl-1H-indole-5-carbonitrile?
The IUPAC name of 2,3-dimethyl-1H-indole-5-carbonitrile (CID 15483079) is 2,3-dimethyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 2,3-dimethyl-1H-indole-5-carbonitrile?
The canonical SMILES for 2,3-dimethyl-1H-indole-5-carbonitrile is Cc1[nH]c2ccc(C#N)cc2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole-5-carbonitrile?
The InChIKey is MAQQEXCJSLDJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,1-2H3.
What are the key properties of 2,3-dimethyl-1H-indole-5-carbonitrile?
2,3-dimethyl-1H-indole-5-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 15483079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).