2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one

C13H13NO3 — CID 102346338

IUPAC2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one
SMILESCC(=O)C1(C)NC(=O)C=C(c2ccccc2)O1
InChIInChI=1S/C13H13NO3/c1-9(15)13(2)14-12(16)8-11(17-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyJPPDLSSBXAZJBE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.48
Rot. Bonds2

About 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one

2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one (PubChem CID 102346338) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one
PubChem CID102346338
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one
SMILESCC(=O)C1(C)NC(=O)C=C(c2ccccc2)O1
InChIInChI=1S/C13H13NO3/c1-9(15)13(2)14-12(16)8-11(17-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyJPPDLSSBXAZJBE-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-4,5-dimethyl-5-phenylmethoxy-1H-pyrrol-2-one
CID 10635017
6-Phenyl-1,3-oxazine-2,4-dione
CID 2804620
5-methyl-2-phenyl-8H-pyrano[2,3-b]pyridine-4,7-dione
CID 272574
2-Ethyl-6-methyl-2-phenyl-2,3-dihydro-1,3-oxazin-4-one
CID 568975
5-Ethyl-6-phenyl-1,3-oxazine-2,4-dione
CID 85819928
6-methyl-4-phenylmethoxy-1H-pyridin-2-one
CID 2785734
4-oxo-6-phenyl-4H-pyran-2-carboxamide
CID 12846664
N-(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)acetamide
CID 20503418
6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one
CID 58914384
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one
CID 60027341
6-methyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide
CID 68612783
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane
CID 91397869

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one?
The IUPAC name of 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one (CID 102346338) is 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one.
What is the SMILES notation for 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one?
The canonical SMILES for 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one is CC(=O)C1(C)NC(=O)C=C(c2ccccc2)O1.
What is the InChIKey of 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one?
The InChIKey is JPPDLSSBXAZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(15)13(2)14-12(16)8-11(17-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16).
What are the key properties of 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one?
2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-methyl-6-phenyl-3H-1,3-oxazin-4-one is sourced from PubChem (CID 102346338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).