sodium 2-cyanoethyl(ethoxy)phosphinate

C5H9NNaO3P — CID 110190928

IUPACsodium 2-cyanoethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CCC#N.[Na+]
InChIInChI=1S/C5H10NO3P.Na/c1-2-9-10(7,8)5-3-4-6;/h2-3,5H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyQCVYNGOHRDKIKC-UHFFFAOYSA-M
MW185.09 g/mol
LogP-2.51
Rot. Bonds4

About sodium 2-cyanoethyl(ethoxy)phosphinate

sodium 2-cyanoethyl(ethoxy)phosphinate (PubChem CID 110190928) has the molecular formula C5H9NNaO3P and a molecular weight of 185.09 g/mol. Its IUPAC name is sodium 2-cyanoethyl(ethoxy)phosphinate.

Molecular Properties

Compound Namesodium 2-cyanoethyl(ethoxy)phosphinate
PubChem CID110190928
Molecular FormulaC5H9NNaO3P
Molecular Weight185.09 g/mol
Exact Mass185.02
IUPAC Namesodium 2-cyanoethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CCC#N.[Na+]
InChIInChI=1S/C5H10NO3P.Na/c1-2-9-10(7,8)5-3-4-6;/h2-3,5H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyQCVYNGOHRDKIKC-UHFFFAOYSA-M
XLogP-2.51
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 2-cyanoethyl(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

potassium cyanomethyl(ethoxy)phosphinate
CID 134863718
sodium ethoxy(tridecyl)phosphinate
CID 90661205
5-diethoxyphosphorylpentanenitrile
CID 54374059
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
2-cyanoethyl diethyl phosphate
CID 54310763
disodium bis(diethyl phosphate)
CID 57370561
barium(2+);ethyl phosphate
CID 12691393
3-[dipropoxymethyl(ethoxy)phosphoryl]propanenitrile
CID 19090879
ethoxy(undec-10-enyl)phosphinate
CID 71356470
4,4-bis(diethoxyphosphoryl)heptanedinitrile
CID 15811799

Frequently Asked Questions

What is the IUPAC name of sodium 2-cyanoethyl(ethoxy)phosphinate?
The IUPAC name of sodium 2-cyanoethyl(ethoxy)phosphinate (CID 110190928) is sodium 2-cyanoethyl(ethoxy)phosphinate.
What is the SMILES notation for sodium 2-cyanoethyl(ethoxy)phosphinate?
The canonical SMILES for sodium 2-cyanoethyl(ethoxy)phosphinate is CCOP(=O)([O-])CCC#N.[Na+].
What is the InChIKey of sodium 2-cyanoethyl(ethoxy)phosphinate?
The InChIKey is QCVYNGOHRDKIKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10NO3P.Na/c1-2-9-10(7,8)5-3-4-6;/h2-3,5H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-cyanoethyl(ethoxy)phosphinate?
sodium 2-cyanoethyl(ethoxy)phosphinate has a molecular weight of 185.09 g/mol, XLogP of -2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-cyanoethyl(ethoxy)phosphinate is sourced from PubChem (CID 110190928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).