3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one

C11H14N2O2 — CID 15306193

IUPAC3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCC1(c2ccccc2)NCCC(=O)N1O
InChIInChI=1S/C11H14N2O2/c1-11(9-5-3-2-4-6-9)12-8-7-10(14)13(11)15/h2-6,12,15H,7-8H2,1H3
InChIKeyCCYNBOUVNXPHTG-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.07
Rot. Bonds1

About 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one

3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one (PubChem CID 15306193) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one
PubChem CID15306193
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCC1(c2ccccc2)NCCC(=O)N1O
InChIInChI=1S/C11H14N2O2/c1-11(9-5-3-2-4-6-9)12-8-7-10(14)13(11)15/h2-6,12,15H,7-8H2,1H3
InChIKeyCCYNBOUVNXPHTG-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one?
The IUPAC name of 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one (CID 15306193) is 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one is CC1(c2ccccc2)NCCC(=O)N1O.
What is the InChIKey of 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one?
The InChIKey is CCYNBOUVNXPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(9-5-3-2-4-6-9)12-8-7-10(14)13(11)15/h2-6,12,15H,7-8H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one?
3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 15306193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).