3-phenyl-1,3-oxazinan-6-one

C10H11NO2 — CID 22323516

IUPAC3-phenyl-1,3-oxazinan-6-one
SMILESO=C1CCN(c2ccccc2)CO1
InChIInChI=1S/C10H11NO2/c12-10-6-7-11(8-13-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyGVTUHFDLECOMCI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.40
Rot. Bonds1

About 3-phenyl-1,3-oxazinan-6-one

3-phenyl-1,3-oxazinan-6-one (PubChem CID 22323516) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-phenyl-1,3-oxazinan-6-one.

Molecular Properties

Compound Name3-phenyl-1,3-oxazinan-6-one
PubChem CID22323516
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-phenyl-1,3-oxazinan-6-one
SMILESO=C1CCN(c2ccccc2)CO1
InChIInChI=1S/C10H11NO2/c12-10-6-7-11(8-13-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyGVTUHFDLECOMCI-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-oxazinan-6-one?
The IUPAC name of 3-phenyl-1,3-oxazinan-6-one (CID 22323516) is 3-phenyl-1,3-oxazinan-6-one.
What is the SMILES notation for 3-phenyl-1,3-oxazinan-6-one?
The canonical SMILES for 3-phenyl-1,3-oxazinan-6-one is O=C1CCN(c2ccccc2)CO1.
What is the InChIKey of 3-phenyl-1,3-oxazinan-6-one?
The InChIKey is GVTUHFDLECOMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-6-7-11(8-13-10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-phenyl-1,3-oxazinan-6-one?
3-phenyl-1,3-oxazinan-6-one has a molecular weight of 177.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-oxazinan-6-one is sourced from PubChem (CID 22323516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).