8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione

C10H9NO4P+ — CID 10900713

IUPAC8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione
SMILESO=C1CN2CC(=O)O[P+]2(c2ccccc2)O1
InChIInChI=1S/C10H9NO4P/c12-9-6-11-7-10(13)15-16(11,14-9)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyVENYAYOXNSLZKE-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.49
Rot. Bonds1

About 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione

8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione (PubChem CID 10900713) has the molecular formula C10H9NO4P+ and a molecular weight of 238.16 g/mol. Its IUPAC name is 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione.

Molecular Properties

Compound Name8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione
PubChem CID10900713
Molecular FormulaC10H9NO4P+
Molecular Weight238.16 g/mol
Exact Mass238.03
IUPAC Name8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione
SMILESO=C1CN2CC(=O)O[P+]2(c2ccccc2)O1
InChIInChI=1S/C10H9NO4P/c12-9-6-11-7-10(13)15-16(11,14-9)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyVENYAYOXNSLZKE-UHFFFAOYSA-N
XLogP0.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one
CID 158899856
2-(4-phenylphenyl)-1,3-dioxane-4,6-dione
CID 57182416
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
CID 101355568
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(5S,6R)-5,6-diphenylmorpholin-2-one
CID 10354905
5,6-diphenylmorpholin-2-one
CID 23365117

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione?
The IUPAC name of 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione (CID 10900713) is 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione.
What is the SMILES notation for 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione?
The canonical SMILES for 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione is O=C1CN2CC(=O)O[P+]2(c2ccccc2)O1.
What is the InChIKey of 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione?
The InChIKey is VENYAYOXNSLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4P/c12-9-6-11-7-10(13)15-16(11,14-9)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1.
What are the key properties of 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione?
8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione has a molecular weight of 238.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione is sourced from PubChem (CID 10900713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).