bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one

C4H12N2O7P2+2 — CID 88766007

IUPACbis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one
SMILESCN1CCNC1=O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C4H8N2O.2HO3P/c1-6-3-2-5-4(6)7;2*1-4(2)3/h2-3H2,1H3,(H,5,7);2*(H-,1,2,3)/p+2
InChIKeyJYKJJNGHYAERHJ-UHFFFAOYSA-P
MW262.09 g/mol
LogP-1.10
Rot. Bonds

About bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one

bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one (PubChem CID 88766007) has the molecular formula C4H12N2O7P2+2 and a molecular weight of 262.09 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one
PubChem CID88766007
Molecular FormulaC4H12N2O7P2+2
Molecular Weight262.09 g/mol
Exact Mass262.01
IUPAC Namebis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one
SMILESCN1CCNC1=O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C4H8N2O.2HO3P/c1-6-3-2-5-4(6)7;2*1-4(2)3/h2-3H2,1H3,(H,5,7);2*(H-,1,2,3)/p+2
InChIKeyJYKJJNGHYAERHJ-UHFFFAOYSA-P
XLogP-1.10
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one (CID 88766007) is bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one is CN1CCNC1=O.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one?
The InChIKey is JYKJJNGHYAERHJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H8N2O.2HO3P/c1-6-3-2-5-4(6)7;2*1-4(2)3/h2-3H2,1H3,(H,5,7);2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one?
bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one has a molecular weight of 262.09 g/mol, XLogP of -1.10, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one is sourced from PubChem (CID 88766007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).