hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile

C10H13N3O2 — CID 88713139

IUPAChydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
SMILESCC(C#N)C/N=N/c1ccccc1.OO
InChIInChI=1S/C10H11N3.H2O2/c1-9(7-11)8-12-13-10-5-3-2-4-6-10;1-2/h2-6,9H,8H2,1H3;1-2H/b13-12+;
InChIKeyPSDYXLOQCWIEMW-UEIGIMKUSA-N
MW207.23 g/mol
LogP2.95
Rot. Bonds3

About hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile

hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile (PubChem CID 88713139) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile.

Molecular Properties

Compound Namehydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
PubChem CID88713139
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namehydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
SMILESCC(C#N)C/N=N/c1ccccc1.OO
InChIInChI=1S/C10H11N3.H2O2/c1-9(7-11)8-12-13-10-5-3-2-4-6-10;1-2/h2-6,9H,8H2,1H3;1-2H/b13-12+;
InChIKeyPSDYXLOQCWIEMW-UEIGIMKUSA-N
XLogP2.95
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile?
The IUPAC name of hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile (CID 88713139) is hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile.
What is the SMILES notation for hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile?
The canonical SMILES for hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile is CC(C#N)C/N=N/c1ccccc1.OO.
What is the InChIKey of hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile?
The InChIKey is PSDYXLOQCWIEMW-UEIGIMKUSA-N. The full InChI is InChI=1S/C10H11N3.H2O2/c1-9(7-11)8-12-13-10-5-3-2-4-6-10;1-2/h2-6,9H,8H2,1H3;1-2H/b13-12+;.
What are the key properties of hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile?
hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile has a molecular weight of 207.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile is sourced from PubChem (CID 88713139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).