2-hydroxyiminoethoxy(oxo)phosphanium

C2H5NO3P+ — CID 175912659

IUPAC2-hydroxyiminoethoxy(oxo)phosphanium
SMILESO=[PH+]OCC=NO
InChIInChI=1S/C2H4NO3P/c4-3-1-2-6-7-5/h1,7H,2H2/p+1
InChIKeyRUVGGUGKQTVTCS-UHFFFAOYSA-O
MW122.04 g/mol
LogP0.40
Rot. Bonds3

About 2-hydroxyiminoethoxy(oxo)phosphanium

2-hydroxyiminoethoxy(oxo)phosphanium (PubChem CID 175912659) has the molecular formula C2H5NO3P+ and a molecular weight of 122.04 g/mol. Its IUPAC name is 2-hydroxyiminoethoxy(oxo)phosphanium.

Molecular Properties

Compound Name2-hydroxyiminoethoxy(oxo)phosphanium
PubChem CID175912659
Molecular FormulaC2H5NO3P+
Molecular Weight122.04 g/mol
Exact Mass122.00
IUPAC Name2-hydroxyiminoethoxy(oxo)phosphanium
SMILESO=[PH+]OCC=NO
InChIInChI=1S/C2H4NO3P/c4-3-1-2-6-7-5/h1,7H,2H2/p+1
InChIKeyRUVGGUGKQTVTCS-UHFFFAOYSA-O
XLogP0.40
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.04
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminoethoxy(oxo)phosphanium?
The IUPAC name of 2-hydroxyiminoethoxy(oxo)phosphanium (CID 175912659) is 2-hydroxyiminoethoxy(oxo)phosphanium.
What is the SMILES notation for 2-hydroxyiminoethoxy(oxo)phosphanium?
The canonical SMILES for 2-hydroxyiminoethoxy(oxo)phosphanium is O=[PH+]OCC=NO.
What is the InChIKey of 2-hydroxyiminoethoxy(oxo)phosphanium?
The InChIKey is RUVGGUGKQTVTCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4NO3P/c4-3-1-2-6-7-5/h1,7H,2H2/p+1.
What are the key properties of 2-hydroxyiminoethoxy(oxo)phosphanium?
2-hydroxyiminoethoxy(oxo)phosphanium has a molecular weight of 122.04 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoethoxy(oxo)phosphanium is sourced from PubChem (CID 175912659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).