bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium

C6H12N2O5P+ — CID 88652520

IUPACbis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium
SMILESCO/N=C(\C)O[P+](=O)O/C(C)=N/OC
InChIInChI=1S/C6H12N2O5P/c1-5(7-10-3)12-14(9)13-6(2)8-11-4/h1-4H3/q+1/b7-5+,8-6+
InChIKeyXLOAPZYSFSUNQG-KQQUZDAGSA-N
MW223.14 g/mol
LogP1.64
Rot. Bonds4

About bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium

bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium (PubChem CID 88652520) has the molecular formula C6H12N2O5P+ and a molecular weight of 223.14 g/mol. Its IUPAC name is bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium
PubChem CID88652520
Molecular FormulaC6H12N2O5P+
Molecular Weight223.14 g/mol
Exact Mass223.05
IUPAC Namebis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium
SMILESCO/N=C(\C)O[P+](=O)O/C(C)=N/OC
InChIInChI=1S/C6H12N2O5P/c1-5(7-10-3)12-14(9)13-6(2)8-11-4/h1-4H3/q+1/b7-5+,8-6+
InChIKeyXLOAPZYSFSUNQG-KQQUZDAGSA-N
XLogP1.64
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl N-hydroxyethanimidoylphosphonate
CID 9568507
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
Dimethyl (1E)-N-hydroxyethanimidoylphosphonate
CID 9602557
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
CID 88729435
dimethoxyphosphinothioyl N-methoxyethanimidate
CID 140364131
(E)-1-dimethoxyphosphoryl-N-methoxyethanimine
CID 145806581
(N-ethoxy-C-methylcarbonimidoyl)oxy-methyl-oxophosphanium
CID 162065396
CID 10012843
CID 10012843
CID 10081324
CID 10081324
ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid
CID 23418934
ethoxy-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid
CID 23418935

Frequently Asked Questions

What is the IUPAC name of bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium?
The IUPAC name of bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium (CID 88652520) is bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium?
The canonical SMILES for bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium is CO/N=C(\C)O[P+](=O)O/C(C)=N/OC.
What is the InChIKey of bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium?
The InChIKey is XLOAPZYSFSUNQG-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N2O5P/c1-5(7-10-3)12-14(9)13-6(2)8-11-4/h1-4H3/q+1/b7-5+,8-6+.
What are the key properties of bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium?
bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium has a molecular weight of 223.14 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium is sourced from PubChem (CID 88652520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).