bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one

C5H14N2O7P2+2 — CID 88764919

IUPACbis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one
SMILESCC1CNC(=O)N1C.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H10N2O.2HO3P/c1-4-3-6-5(8)7(4)2;2*1-4(2)3/h4H,3H2,1-2H3,(H,6,8);2*(H-,1,2,3)/p+2
InChIKeyRHQUQPIVKOPKDU-UHFFFAOYSA-P
MW276.12 g/mol
LogP-0.71
Rot. Bonds

About bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one

bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one (PubChem CID 88764919) has the molecular formula C5H14N2O7P2+2 and a molecular weight of 276.12 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one
PubChem CID88764919
Molecular FormulaC5H14N2O7P2+2
Molecular Weight276.12 g/mol
Exact Mass276.03
IUPAC Namebis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one
SMILESCC1CNC(=O)N1C.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H10N2O.2HO3P/c1-4-3-6-5(8)7(4)2;2*1-4(2)3/h4H,3H2,1-2H3,(H,6,8);2*(H-,1,2,3)/p+2
InChIKeyRHQUQPIVKOPKDU-UHFFFAOYSA-P
XLogP-0.71
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-Oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
CID 54317080
[(4-Methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
CID 54397866
Bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one
CID 88766007

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one (CID 88764919) is bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one is CC1CNC(=O)N1C.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one?
The InChIKey is RHQUQPIVKOPKDU-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H10N2O.2HO3P/c1-4-3-6-5(8)7(4)2;2*1-4(2)3/h4H,3H2,1-2H3,(H,6,8);2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one?
bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one has a molecular weight of 276.12 g/mol, XLogP of -0.71, 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);1,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 88764919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).