(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one

C10H9NO3 — CID 10877951

IUPAC(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
SMILESO=C1C=[N+]([O-])[C@H](c2ccccc2)CO1
InChIInChI=1S/C10H9NO3/c12-10-6-11(13)9(7-14-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1
InChIKeyOSSLVTRJEPVTCN-VIFPVBQESA-N
MW191.19 g/mol
LogP0.87
Rot. Bonds1

About (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one

(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one (PubChem CID 10877951) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one.

Molecular Properties

Compound Name(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
PubChem CID10877951
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
SMILESO=C1C=[N+]([O-])[C@H](c2ccccc2)CO1
InChIInChI=1S/C10H9NO3/c12-10-6-11(13)9(7-14-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1
InChIKeyOSSLVTRJEPVTCN-VIFPVBQESA-N
XLogP0.87
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
2,2,2-trifluoro-N-[(1S)-2-methoxy-1-phenylethyl]ethanimine oxide
CID 139191316
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968
(3S)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
CID 11095432
(R)-3-Methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 11127054
(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
CID 11183299
(5S)-3-methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 57467834
2-Benzyloxazol-5-one
CID 129706471
N-benzyl-2-ethoxy-2-oxoethanimine oxide
CID 10856671
N-benzyl-2-ethoxy-2-oxoethanimine oxide
CID 10943674
N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11041267

Frequently Asked Questions

What is the IUPAC name of (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one?
The IUPAC name of (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one (CID 10877951) is (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one.
What is the SMILES notation for (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one?
The canonical SMILES for (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one is O=C1C=[N+]([O-])[C@H](c2ccccc2)CO1.
What is the InChIKey of (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one?
The InChIKey is OSSLVTRJEPVTCN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9NO3/c12-10-6-11(13)9(7-14-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1.
What are the key properties of (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one?
(3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one has a molecular weight of 191.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one is sourced from PubChem (CID 10877951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).