methoxy-oxo-(2-oxopropanimidoyl)phosphanium

C4H7NO3P+ — CID 123380694

IUPACmethoxy-oxo-(2-oxopropanimidoyl)phosphanium
SMILES[H]/N=C(\C(C)=O)[P+](=O)OC
InChIInChI=1S/C4H7NO3P/c1-3(6)4(5)9(7)8-2/h5H,1-2H3/q+1/b5-4+
InChIKeyWDBJWDJAMYFOOK-SNAWJCMRSA-N
MW148.08 g/mol
LogP0.94
Rot. Bonds3

About methoxy-oxo-(2-oxopropanimidoyl)phosphanium

methoxy-oxo-(2-oxopropanimidoyl)phosphanium (PubChem CID 123380694) has the molecular formula C4H7NO3P+ and a molecular weight of 148.08 g/mol. Its IUPAC name is methoxy-oxo-(2-oxopropanimidoyl)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(2-oxopropanimidoyl)phosphanium
PubChem CID123380694
Molecular FormulaC4H7NO3P+
Molecular Weight148.08 g/mol
Exact Mass148.02
IUPAC Namemethoxy-oxo-(2-oxopropanimidoyl)phosphanium
SMILES[H]/N=C(\C(C)=O)[P+](=O)OC
InChIInChI=1S/C4H7NO3P/c1-3(6)4(5)9(7)8-2/h5H,1-2H3/q+1/b5-4+
InChIKeyWDBJWDJAMYFOOK-SNAWJCMRSA-N
XLogP0.94
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.08
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(2-oxopropanimidoyl)phosphanium?
The IUPAC name of methoxy-oxo-(2-oxopropanimidoyl)phosphanium (CID 123380694) is methoxy-oxo-(2-oxopropanimidoyl)phosphanium.
What is the SMILES notation for methoxy-oxo-(2-oxopropanimidoyl)phosphanium?
The canonical SMILES for methoxy-oxo-(2-oxopropanimidoyl)phosphanium is [H]/N=C(\C(C)=O)[P+](=O)OC.
What is the InChIKey of methoxy-oxo-(2-oxopropanimidoyl)phosphanium?
The InChIKey is WDBJWDJAMYFOOK-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H7NO3P/c1-3(6)4(5)9(7)8-2/h5H,1-2H3/q+1/b5-4+.
What are the key properties of methoxy-oxo-(2-oxopropanimidoyl)phosphanium?
methoxy-oxo-(2-oxopropanimidoyl)phosphanium has a molecular weight of 148.08 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2-oxopropanimidoyl)phosphanium is sourced from PubChem (CID 123380694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).