[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium

C11H20N3O2P+2 — CID 110190741

IUPAC[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
SMILESO=[P+]([O-])c1ccccc1.[H]N=C([NH+](C)C)[NH+](C)C
InChIInChI=1S/C6H5O2P.C5H13N3/c7-9(8)6-4-2-1-3-5-6;1-7(2)5(6)8(3)4/h1-5H;6H,1-4H3/p+2
InChIKeyQWAOXLIHTLLCNS-UHFFFAOYSA-P
MW257.27 g/mol
LogP-2.38
Rot. Bonds1

About [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium

[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium (PubChem CID 110190741) has the molecular formula C11H20N3O2P+2 and a molecular weight of 257.27 g/mol. Its IUPAC name is [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium.

Molecular Properties

Compound Name[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
PubChem CID110190741
Molecular FormulaC11H20N3O2P+2
Molecular Weight257.27 g/mol
Exact Mass257.13
IUPAC Name[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
SMILESO=[P+]([O-])c1ccccc1.[H]N=C([NH+](C)C)[NH+](C)C
InChIInChI=1S/C6H5O2P.C5H13N3/c7-9(8)6-4-2-1-3-5-6;1-7(2)5(6)8(3)4/h1-5H;6H,1-4H3/p+2
InChIKeyQWAOXLIHTLLCNS-UHFFFAOYSA-P
XLogP-2.38
TPSA72.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

barium(2+);bis(oxido-oxo-phenylphosphanium)
CID 12822253
sodium oxido-oxo-phenylphosphanium
CID 6364990
2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
CID 174870395
methanol;oxo(diphenyl)phosphanium
CID 174996285
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
cadmium;oxo(diphenyl)phosphanium
CID 174925548
oxo-phenyl-propylphosphanium
CID 19035096
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
diethylamino-oxo-phenylphosphanium
CID 12513100
1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium
CID 151818448
tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
CID 173147544

Frequently Asked Questions

What is the IUPAC name of [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium?
The IUPAC name of [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium (CID 110190741) is [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium.
What is the SMILES notation for [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium?
The canonical SMILES for [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium is O=[P+]([O-])c1ccccc1.[H]N=C([NH+](C)C)[NH+](C)C.
What is the InChIKey of [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium?
The InChIKey is QWAOXLIHTLLCNS-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H5O2P.C5H13N3/c7-9(8)6-4-2-1-3-5-6;1-7(2)5(6)8(3)4/h1-5H;6H,1-4H3/p+2.
What are the key properties of [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium?
[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium has a molecular weight of 257.27 g/mol, XLogP of -2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium is sourced from PubChem (CID 110190741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).