2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile

C11H9ClN4 — CID 19434

IUPAC2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile
SMILESN#CC(C#N)CC/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4/c12-10-1-3-11(4-2-10)16-15-6-5-9(7-13)8-14/h1-4,9H,5-6H2/b16-15+
InChIKeyHYCVLMZDYDIWOU-FOCLMDBBSA-N
MW232.67 g/mol
LogP3.48
Rot. Bonds4

About 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile

2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile (PubChem CID 19434) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile
PubChem CID19434
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile
SMILESN#CC(C#N)CC/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4/c12-10-1-3-11(4-2-10)16-15-6-5-9(7-13)8-14/h1-4,9H,5-6H2/b16-15+
InChIKeyHYCVLMZDYDIWOU-FOCLMDBBSA-N
XLogP3.48
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile 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-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile?
The IUPAC name of 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile (CID 19434) is 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile?
The canonical SMILES for 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile is N#CC(C#N)CC/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile?
The InChIKey is HYCVLMZDYDIWOU-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-10-1-3-11(4-2-10)16-15-6-5-9(7-13)8-14/h1-4,9H,5-6H2/b16-15+.
What are the key properties of 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile?
2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile has a molecular weight of 232.67 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)diazenyl]ethyl]propanedinitrile is sourced from PubChem (CID 19434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).