4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C12H11NO3 — CID 2732015

IUPAC4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(=O)C1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C12H11NO3/c1-8(14)10-7-11(15)16-12(13-10)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyHOQAJSFXWIOWHU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.34
Rot. Bonds2

About 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 2732015) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID2732015
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(=O)C1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C12H11NO3/c1-8(14)10-7-11(15)16-12(13-10)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyHOQAJSFXWIOWHU-UHFFFAOYSA-N
XLogP1.34
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 2732015) is 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is CC(=O)C1CC(=O)OC(c2ccccc2)=N1.
What is the InChIKey of 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is HOQAJSFXWIOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(14)10-7-11(15)16-12(13-10)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3.
What are the key properties of 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 217.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 2732015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).