hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium

C4H9NO3P+ — CID 88729902

IUPAChydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium
SMILESCO/N=C(\C)C[P+](=O)O
InChIInChI=1S/C4H8NO3P/c1-4(5-8-2)3-9(6)7/h3H2,1-2H3/p+1/b5-4+
InChIKeyGKNBNBWSJFJOAI-SNAWJCMRSA-O
MW150.09 g/mol
LogP0.74
Rot. Bonds3

About hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium

hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium (PubChem CID 88729902) has the molecular formula C4H9NO3P+ and a molecular weight of 150.09 g/mol. Its IUPAC name is hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium
PubChem CID88729902
Molecular FormulaC4H9NO3P+
Molecular Weight150.09 g/mol
Exact Mass150.03
IUPAC Namehydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium
SMILESCO/N=C(\C)C[P+](=O)O
InChIInChI=1S/C4H8NO3P/c1-4(5-8-2)3-9(6)7/h3H2,1-2H3/p+1/b5-4+
InChIKeyGKNBNBWSJFJOAI-SNAWJCMRSA-O
XLogP0.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium?
The IUPAC name of hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium (CID 88729902) is hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium?
The canonical SMILES for hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium is CO/N=C(\C)C[P+](=O)O.
What is the InChIKey of hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium?
The InChIKey is GKNBNBWSJFJOAI-SNAWJCMRSA-O. The full InChI is InChI=1S/C4H8NO3P/c1-4(5-8-2)3-9(6)7/h3H2,1-2H3/p+1/b5-4+.
What are the key properties of hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium?
hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium has a molecular weight of 150.09 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium is sourced from PubChem (CID 88729902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).