[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium

C11H13NO5P+ — CID 149294510

IUPAC[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium
SMILESC[OH+]P(=O)(Oc1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C11H12NO5P/c1-16-18(15,12-10(13)7-8-11(12)14)17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/p+1
InChIKeyXVNATCSLRUSZPL-UHFFFAOYSA-O
MW270.20 g/mol
LogP1.48
Rot. Bonds4

About [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium

[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium (PubChem CID 149294510) has the molecular formula C11H13NO5P+ and a molecular weight of 270.20 g/mol. Its IUPAC name is [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium.

Molecular Properties

Compound Name[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium
PubChem CID149294510
Molecular FormulaC11H13NO5P+
Molecular Weight270.20 g/mol
Exact Mass270.05
IUPAC Name[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium
SMILESC[OH+]P(=O)(Oc1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C11H12NO5P/c1-16-18(15,12-10(13)7-8-11(12)14)17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/p+1
InChIKeyXVNATCSLRUSZPL-UHFFFAOYSA-O
XLogP1.48
TPSA76.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
1,4-bis(diphenoxyphosphoryl)piperazine
CID 4226223
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
2-methylpropane;triphenyl phosphate
CID 91193965
3-diphenoxyphosphoryl-1-(diphenoxyphosphorylmethyl)pyrrolidine-2,5-dione
CID 164746065
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592

Frequently Asked Questions

What is the IUPAC name of [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium?
The IUPAC name of [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium (CID 149294510) is [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium.
What is the SMILES notation for [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium?
The canonical SMILES for [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium is C[OH+]P(=O)(Oc1ccccc1)N1C(=O)CCC1=O.
What is the InChIKey of [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium?
The InChIKey is XVNATCSLRUSZPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12NO5P/c1-16-18(15,12-10(13)7-8-11(12)14)17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/p+1.
What are the key properties of [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium?
[(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium has a molecular weight of 270.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dioxopyrrolidin-1-yl)-phenoxyphosphoryl]-methyloxidanium is sourced from PubChem (CID 149294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).