2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide

C21H21N3O — CID 143751482

IUPAC2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1.NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13N.C9H8N2O/c1-12(2)6-10-4-3-9(8-13)5-11(10)7-12;10-9(12)8-5-6-3-1-2-4-7(6)11-8/h3-5H,6-7H2,1-2H3;1-5,11H,(H2,10,12)
InChIKeyJYXLEMGFZFUYIR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.95
Rot. Bonds1

About 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide

2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide (PubChem CID 143751482) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
PubChem CID143751482
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1.NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13N.C9H8N2O/c1-12(2)6-10-4-3-9(8-13)5-11(10)7-12;10-9(12)8-5-6-3-1-2-4-7(6)11-8/h3-5H,6-7H2,1-2H3;1-5,11H,(H2,10,12)
InChIKeyJYXLEMGFZFUYIR-UHFFFAOYSA-N
XLogP3.95
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide 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 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide?
The IUPAC name of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide (CID 143751482) is 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide is CC1(C)Cc2ccc(C#N)cc2C1.NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide?
The InChIKey is JYXLEMGFZFUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C9H8N2O/c1-12(2)6-10-4-3-9(8-13)5-11(10)7-12;10-9(12)8-5-6-3-1-2-4-7(6)11-8/h3-5H,6-7H2,1-2H3;1-5,11H,(H2,10,12).
What are the key properties of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide?
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide is sourced from PubChem (CID 143751482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).