[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium

C5H11NO3P+ — CID 88729435

IUPAC[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
SMILESCCO/N=C(/C)O[P+](C)=O
InChIInChI=1S/C5H11NO3P/c1-4-8-6-5(2)9-10(3)7/h4H2,1-3H3/q+1/b6-5-
InChIKeyXVJYUGYTKPOLBP-WAYWQWQTSA-N
MW164.12 g/mol
LogP1.75
Rot. Bonds3

About [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium

[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium (PubChem CID 88729435) has the molecular formula C5H11NO3P+ and a molecular weight of 164.12 g/mol. Its IUPAC name is [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium.

Molecular Properties

Compound Name[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
PubChem CID88729435
Molecular FormulaC5H11NO3P+
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
SMILESCCO/N=C(/C)O[P+](C)=O
InChIInChI=1S/C5H11NO3P/c1-4-8-6-5(2)9-10(3)7/h4H2,1-3H3/q+1/b6-5-
InChIKeyXVJYUGYTKPOLBP-WAYWQWQTSA-N
XLogP1.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
Dimethyl (1E)-N-hydroxyethanimidoylphosphonate
CID 9602557
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
bis[[(E)-N-methoxy-C-methylcarbonimidoyl]oxy]-oxophosphanium
CID 88652520
(E)-1-dimethoxyphosphoryl-N-methoxyethanimine
CID 145806581
2-Ethoxyiminoethoxy-methyl-oxophosphanium
CID 151695946
CID 162065395
CID 162065395
(N-ethoxy-C-methylcarbonimidoyl)oxy-methyl-oxophosphanium
CID 162065396
diethoxy-hydroxy-(N-hydroxy-C-methylcarbonimidoyl)phosphanium
CID 172221060
3-Dimethoxyphosphoryl-4,5-dihydro-1,2-oxazole
CID 175601620

Frequently Asked Questions

What is the IUPAC name of [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium?
The IUPAC name of [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium (CID 88729435) is [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium.
What is the SMILES notation for [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium?
The canonical SMILES for [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium is CCO/N=C(/C)O[P+](C)=O.
What is the InChIKey of [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium?
The InChIKey is XVJYUGYTKPOLBP-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NO3P/c1-4-8-6-5(2)9-10(3)7/h4H2,1-3H3/q+1/b6-5-.
What are the key properties of [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium?
[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium has a molecular weight of 164.12 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium is sourced from PubChem (CID 88729435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).