potassium cyanomethyl(ethoxy)phosphinate

C4H7KNO3P — CID 134863718

IUPACpotassium cyanomethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CC#N.[K+]
InChIInChI=1S/C4H8NO3P.K/c1-2-8-9(6,7)4-3-5;/h2,4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyZJEPHXNZXRZVJX-UHFFFAOYSA-M
MW187.18 g/mol
LogP-2.90
Rot. Bonds3

About potassium cyanomethyl(ethoxy)phosphinate

potassium cyanomethyl(ethoxy)phosphinate (PubChem CID 134863718) has the molecular formula C4H7KNO3P and a molecular weight of 187.18 g/mol. Its IUPAC name is potassium cyanomethyl(ethoxy)phosphinate.

Molecular Properties

Compound Namepotassium cyanomethyl(ethoxy)phosphinate
PubChem CID134863718
Molecular FormulaC4H7KNO3P
Molecular Weight187.18 g/mol
Exact Mass186.98
IUPAC Namepotassium cyanomethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CC#N.[K+]
InChIInChI=1S/C4H8NO3P.K/c1-2-8-9(6,7)4-3-5;/h2,4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyZJEPHXNZXRZVJX-UHFFFAOYSA-M
XLogP-2.90
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium cyanomethyl(ethoxy)phosphinate with MolForge

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

Launch Full Analysis

Related Compounds

sodium 2-cyanoethyl(ethoxy)phosphinate
CID 110190928
2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
CID 146474105
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
disodium bis(diethyl phosphate)
CID 57370561
barium(2+);ethyl phosphate
CID 12691393
bis(2-phosphonatoacetonitrile);bis(zirconium(2+))
CID 23454985
copper bis(diethyl phosphate)
CID 23448356
ethoxy(prop-2-enyl)phosphinate
CID 71365133

Frequently Asked Questions

What is the IUPAC name of potassium cyanomethyl(ethoxy)phosphinate?
The IUPAC name of potassium cyanomethyl(ethoxy)phosphinate (CID 134863718) is potassium cyanomethyl(ethoxy)phosphinate.
What is the SMILES notation for potassium cyanomethyl(ethoxy)phosphinate?
The canonical SMILES for potassium cyanomethyl(ethoxy)phosphinate is CCOP(=O)([O-])CC#N.[K+].
What is the InChIKey of potassium cyanomethyl(ethoxy)phosphinate?
The InChIKey is ZJEPHXNZXRZVJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8NO3P.K/c1-2-8-9(6,7)4-3-5;/h2,4H2,1H3,(H,6,7);/q;+1/p-1.
What are the key properties of potassium cyanomethyl(ethoxy)phosphinate?
potassium cyanomethyl(ethoxy)phosphinate has a molecular weight of 187.18 g/mol, XLogP of -2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyanomethyl(ethoxy)phosphinate is sourced from PubChem (CID 134863718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).