potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate

C6H10KN2O3P — CID 23709587

IUPACpotassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate
SMILESCOCn1ccnc1P(C)(=O)[O-].[K+]
InChIInChI=1S/C6H11N2O3P.K/c1-11-5-8-4-3-7-6(8)12(2,9)10;/h3-4H,5H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyZPVSKEULSPOJHD-UHFFFAOYSA-M
MW228.23 g/mol
LogP-3.62
Rot. Bonds3

About potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate

potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate (PubChem CID 23709587) has the molecular formula C6H10KN2O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate.

Molecular Properties

Compound Namepotassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate
PubChem CID23709587
Molecular FormulaC6H10KN2O3P
Molecular Weight228.23 g/mol
Exact Mass228.01
IUPAC Namepotassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate
SMILESCOCn1ccnc1P(C)(=O)[O-].[K+]
InChIInChI=1S/C6H11N2O3P.K/c1-11-5-8-4-3-7-6(8)12(2,9)10;/h3-4H,5H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyZPVSKEULSPOJHD-UHFFFAOYSA-M
XLogP-3.62
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-3.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate?
The IUPAC name of potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate (CID 23709587) is potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate.
What is the SMILES notation for potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate?
The canonical SMILES for potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate is COCn1ccnc1P(C)(=O)[O-].[K+].
What is the InChIKey of potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate?
The InChIKey is ZPVSKEULSPOJHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2O3P.K/c1-11-5-8-4-3-7-6(8)12(2,9)10;/h3-4H,5H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate?
potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate has a molecular weight of 228.23 g/mol, XLogP of -3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [1-(methoxymethyl)imidazol-2-yl]-methylphosphinate is sourced from PubChem (CID 23709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).