5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile

C15H16N2 — CID 154426424

IUPAC5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile
SMILESCC1=CC=CC1c1ccc(N(C)C)cc1C#N
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(11)15-8-7-13(17(2)3)9-12(15)10-16/h4-9,14H,1-3H3
InChIKeyUFGAYTKLJGLFBC-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.22
Rot. Bonds2

About 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile

5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile (PubChem CID 154426424) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile
PubChem CID154426424
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile
SMILESCC1=CC=CC1c1ccc(N(C)C)cc1C#N
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(11)15-8-7-13(17(2)3)9-12(15)10-16/h4-9,14H,1-3H3
InChIKeyUFGAYTKLJGLFBC-UHFFFAOYSA-N
XLogP3.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile 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 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile?
The IUPAC name of 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile (CID 154426424) is 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile?
The canonical SMILES for 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile is CC1=CC=CC1c1ccc(N(C)C)cc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile?
The InChIKey is UFGAYTKLJGLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-5-4-6-14(11)15-8-7-13(17(2)3)9-12(15)10-16/h4-9,14H,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile?
5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile has a molecular weight of 224.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-methylcyclopenta-2,4-dien-1-yl)benzonitrile is sourced from PubChem (CID 154426424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).