trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium

C8H17NO5P+ — CID 91591242

IUPACtrihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium
SMILESCC1(C)CC(=O)C(C)(C)N1O[P+](O)(O)O
InChIInChI=1S/C8H17NO5P/c1-7(2)5-6(10)8(3,4)9(7)14-15(11,12)13/h11-13H,5H2,1-4H3/q+1
InChIKeyREXOVVQTASDHSO-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.40
Rot. Bonds2

About trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium

trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium (PubChem CID 91591242) has the molecular formula C8H17NO5P+ and a molecular weight of 238.20 g/mol. Its IUPAC name is trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium.

Molecular Properties

Compound Nametrihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium
PubChem CID91591242
Molecular FormulaC8H17NO5P+
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nametrihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium
SMILESCC1(C)CC(=O)C(C)(C)N1O[P+](O)(O)O
InChIInChI=1S/C8H17NO5P/c1-7(2)5-6(10)8(3,4)9(7)14-15(11,12)13/h11-13H,5H2,1-4H3/q+1
InChIKeyREXOVVQTASDHSO-UHFFFAOYSA-N
XLogP0.40
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium?
The IUPAC name of trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium (CID 91591242) is trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium.
What is the SMILES notation for trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium?
The canonical SMILES for trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium is CC1(C)CC(=O)C(C)(C)N1O[P+](O)(O)O.
What is the InChIKey of trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium?
The InChIKey is REXOVVQTASDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5P/c1-7(2)5-6(10)8(3,4)9(7)14-15(11,12)13/h11-13H,5H2,1-4H3/q+1.
What are the key properties of trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium?
trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium has a molecular weight of 238.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium is sourced from PubChem (CID 91591242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).