2-methyl-2-phenyldiazenylpropanedinitrile

C10H8N4 — CID 23618089

IUPAC2-methyl-2-phenyldiazenylpropanedinitrile
SMILESCC(C#N)(C#N)/N=N/c1ccccc1
InChIInChI=1S/C10H8N4/c1-10(7-11,8-12)14-13-9-5-3-2-4-6-9/h2-6H,1H3/b14-13+
InChIKeyIKDBGCQGIMAMPT-BUHFOSPRSA-N
MW184.20 g/mol
LogP2.58
Rot. Bonds2

About 2-methyl-2-phenyldiazenylpropanedinitrile

2-methyl-2-phenyldiazenylpropanedinitrile (PubChem CID 23618089) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methyl-2-phenyldiazenylpropanedinitrile.

Molecular Properties

Compound Name2-methyl-2-phenyldiazenylpropanedinitrile
PubChem CID23618089
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-methyl-2-phenyldiazenylpropanedinitrile
SMILESCC(C#N)(C#N)/N=N/c1ccccc1
InChIInChI=1S/C10H8N4/c1-10(7-11,8-12)14-13-9-5-3-2-4-6-9/h2-6H,1H3/b14-13+
InChIKeyIKDBGCQGIMAMPT-BUHFOSPRSA-N
XLogP2.58
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.58
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-methyl-2-phenyldiazenylpropanedinitrile?
The IUPAC name of 2-methyl-2-phenyldiazenylpropanedinitrile (CID 23618089) is 2-methyl-2-phenyldiazenylpropanedinitrile.
What is the SMILES notation for 2-methyl-2-phenyldiazenylpropanedinitrile?
The canonical SMILES for 2-methyl-2-phenyldiazenylpropanedinitrile is CC(C#N)(C#N)/N=N/c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyldiazenylpropanedinitrile?
The InChIKey is IKDBGCQGIMAMPT-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N4/c1-10(7-11,8-12)14-13-9-5-3-2-4-6-9/h2-6H,1H3/b14-13+.
What are the key properties of 2-methyl-2-phenyldiazenylpropanedinitrile?
2-methyl-2-phenyldiazenylpropanedinitrile has a molecular weight of 184.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyldiazenylpropanedinitrile is sourced from PubChem (CID 23618089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).