2-amino-8-phenyldiazenylcyclooctan-1-one

C14H19N3O — CID 175187351

IUPAC2-amino-8-phenyldiazenylcyclooctan-1-one
SMILESNC1CCCCCC(/N=N/c2ccccc2)C1=O
InChIInChI=1S/C14H19N3O/c15-12-9-5-2-6-10-13(14(12)18)17-16-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2/b17-16+
InChIKeyZJAOFYIVXIGFKD-WUKNDPDISA-N
MW245.33 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-8-phenyldiazenylcyclooctan-1-one

2-amino-8-phenyldiazenylcyclooctan-1-one (PubChem CID 175187351) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-8-phenyldiazenylcyclooctan-1-one.

Molecular Properties

Compound Name2-amino-8-phenyldiazenylcyclooctan-1-one
PubChem CID175187351
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-8-phenyldiazenylcyclooctan-1-one
SMILESNC1CCCCCC(/N=N/c2ccccc2)C1=O
InChIInChI=1S/C14H19N3O/c15-12-9-5-2-6-10-13(14(12)18)17-16-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2/b17-16+
InChIKeyZJAOFYIVXIGFKD-WUKNDPDISA-N
XLogP3.00
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
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-amino-8-phenyldiazenylcyclooctan-1-one?
The IUPAC name of 2-amino-8-phenyldiazenylcyclooctan-1-one (CID 175187351) is 2-amino-8-phenyldiazenylcyclooctan-1-one.
What is the SMILES notation for 2-amino-8-phenyldiazenylcyclooctan-1-one?
The canonical SMILES for 2-amino-8-phenyldiazenylcyclooctan-1-one is NC1CCCCCC(/N=N/c2ccccc2)C1=O.
What is the InChIKey of 2-amino-8-phenyldiazenylcyclooctan-1-one?
The InChIKey is ZJAOFYIVXIGFKD-WUKNDPDISA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-9-5-2-6-10-13(14(12)18)17-16-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2/b17-16+.
What are the key properties of 2-amino-8-phenyldiazenylcyclooctan-1-one?
2-amino-8-phenyldiazenylcyclooctan-1-one has a molecular weight of 245.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-phenyldiazenylcyclooctan-1-one is sourced from PubChem (CID 175187351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).