4,4-diphenyl-1,3-diazinan-2-one

C16H16N2O — CID 23879283

IUPAC4,4-diphenyl-1,3-diazinan-2-one
SMILESO=C1NCCC(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-15-17-12-11-16(18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,18,19)
InChIKeyJETQBUGRZKNTHI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.63
Rot. Bonds2

About 4,4-diphenyl-1,3-diazinan-2-one

4,4-diphenyl-1,3-diazinan-2-one (PubChem CID 23879283) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,4-diphenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4,4-diphenyl-1,3-diazinan-2-one
PubChem CID23879283
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4,4-diphenyl-1,3-diazinan-2-one
SMILESO=C1NCCC(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-15-17-12-11-16(18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,18,19)
InChIKeyJETQBUGRZKNTHI-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-1,3-diazinan-2-one?
The IUPAC name of 4,4-diphenyl-1,3-diazinan-2-one (CID 23879283) is 4,4-diphenyl-1,3-diazinan-2-one.
What is the SMILES notation for 4,4-diphenyl-1,3-diazinan-2-one?
The canonical SMILES for 4,4-diphenyl-1,3-diazinan-2-one is O=C1NCCC(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 4,4-diphenyl-1,3-diazinan-2-one?
The InChIKey is JETQBUGRZKNTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15-17-12-11-16(18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,18,19).
What are the key properties of 4,4-diphenyl-1,3-diazinan-2-one?
4,4-diphenyl-1,3-diazinan-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-1,3-diazinan-2-one is sourced from PubChem (CID 23879283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).