6-(4-phenylphenyl)diazinan-3-one

C16H16N2O — CID 21146041

IUPAC6-(4-phenylphenyl)diazinan-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)NN1
InChIInChI=1S/C16H16N2O/c19-16-11-10-15(17-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)
InChIKeyJRPWDOCPZZCMAF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds2

About 6-(4-phenylphenyl)diazinan-3-one

6-(4-phenylphenyl)diazinan-3-one (PubChem CID 21146041) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(4-phenylphenyl)diazinan-3-one.

Molecular Properties

Compound Name6-(4-phenylphenyl)diazinan-3-one
PubChem CID21146041
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-(4-phenylphenyl)diazinan-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)NN1
InChIInChI=1S/C16H16N2O/c19-16-11-10-15(17-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)
InChIKeyJRPWDOCPZZCMAF-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)diazinan-3-one
CID 139782184
6-pyridin-3-yldiazinan-3-one
CID 20559353
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 90836953
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
6-oxo-N-(2-phenylphenyl)diazinane-3-carboxamide
CID 78371672
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
2-methyl-4-(4-phenylphenyl)azetidine
CID 116821976
5-(4-phenylphenyl)cyclohexane-1,3-dione
CID 53427253
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)diazinan-3-one?
The IUPAC name of 6-(4-phenylphenyl)diazinan-3-one (CID 21146041) is 6-(4-phenylphenyl)diazinan-3-one.
What is the SMILES notation for 6-(4-phenylphenyl)diazinan-3-one?
The canonical SMILES for 6-(4-phenylphenyl)diazinan-3-one is O=C1CCC(c2ccc(-c3ccccc3)cc2)NN1.
What is the InChIKey of 6-(4-phenylphenyl)diazinan-3-one?
The InChIKey is JRPWDOCPZZCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-11-10-15(17-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19).
What are the key properties of 6-(4-phenylphenyl)diazinan-3-one?
6-(4-phenylphenyl)diazinan-3-one has a molecular weight of 252.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)diazinan-3-one is sourced from PubChem (CID 21146041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).