2-(2-phenyldiazenylethyl)propanedinitrile

C11H10N4 — CID 19303

IUPAC2-(2-phenyldiazenylethyl)propanedinitrile
SMILESN#CC(C#N)CC/N=N/c1ccccc1
InChIInChI=1S/C11H10N4/c12-8-10(9-13)6-7-14-15-11-4-2-1-3-5-11/h1-5,10H,6-7H2/b15-14+
InChIKeyMDQGNSZLYUMIJL-CCEZHUSRSA-N
MW198.23 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-phenyldiazenylethyl)propanedinitrile

2-(2-phenyldiazenylethyl)propanedinitrile (PubChem CID 19303) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(2-phenyldiazenylethyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-phenyldiazenylethyl)propanedinitrile
PubChem CID19303
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(2-phenyldiazenylethyl)propanedinitrile
SMILESN#CC(C#N)CC/N=N/c1ccccc1
InChIInChI=1S/C11H10N4/c12-8-10(9-13)6-7-14-15-11-4-2-1-3-5-11/h1-5,10H,6-7H2/b15-14+
InChIKeyMDQGNSZLYUMIJL-CCEZHUSRSA-N
XLogP2.82
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyldiazenylethyl)propanedinitrile?
The IUPAC name of 2-(2-phenyldiazenylethyl)propanedinitrile (CID 19303) is 2-(2-phenyldiazenylethyl)propanedinitrile.
What is the SMILES notation for 2-(2-phenyldiazenylethyl)propanedinitrile?
The canonical SMILES for 2-(2-phenyldiazenylethyl)propanedinitrile is N#CC(C#N)CC/N=N/c1ccccc1.
What is the InChIKey of 2-(2-phenyldiazenylethyl)propanedinitrile?
The InChIKey is MDQGNSZLYUMIJL-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H10N4/c12-8-10(9-13)6-7-14-15-11-4-2-1-3-5-11/h1-5,10H,6-7H2/b15-14+.
What are the key properties of 2-(2-phenyldiazenylethyl)propanedinitrile?
2-(2-phenyldiazenylethyl)propanedinitrile has a molecular weight of 198.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyldiazenylethyl)propanedinitrile is sourced from PubChem (CID 19303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).