cyano(methoxy)phosphinate

C2H3NO3P- — CID 86186680

IUPACcyano(methoxy)phosphinate
SMILESCOP(=O)([O-])C#N
InChIInChI=1S/C2H4NO3P/c1-6-7(4,5)2-3/h1H3,(H,4,5)/p-1
InChIKeyONAKXHJEGDNSHU-UHFFFAOYSA-M
MW120.02 g/mol
LogP-0.33
Rot. Bonds1

About cyano(methoxy)phosphinate

cyano(methoxy)phosphinate (PubChem CID 86186680) has the molecular formula C2H3NO3P- and a molecular weight of 120.02 g/mol. Its IUPAC name is cyano(methoxy)phosphinate.

Molecular Properties

Compound Namecyano(methoxy)phosphinate
PubChem CID86186680
Molecular FormulaC2H3NO3P-
Molecular Weight120.02 g/mol
Exact Mass119.99
IUPAC Namecyano(methoxy)phosphinate
SMILESCOP(=O)([O-])C#N
InChIInChI=1S/C2H4NO3P/c1-6-7(4,5)2-3/h1H3,(H,4,5)/p-1
InChIKeyONAKXHJEGDNSHU-UHFFFAOYSA-M
XLogP-0.33
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.02
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl cyanochlorophosphate
CID 85641885
Dimethoxyphosphorylformonitrile
CID 11137217
Methyl methylphosphonocyanidate
CID 71332497
[Fluorooxy(methyl)phosphoryl] cyanate
CID 141553326
Cyano(methoxy)phosphinic acid
CID 17871559
Cyano-methoxy-oxophosphanium
CID 21852394
Sodium cyano(methoxy)phosphinate
CID 23678117
[Cyanato(methyl)phosphoryl] cyanate
CID 87282861
Potassium cyano(methoxy)phosphinate
CID 88163422
Lithium cyano(methoxy)phosphinate
CID 88163619
Formonitrile;methoxy-methyl-oxophosphanium
CID 89755752
Cyanato-methoxy-oxophosphanium
CID 140329993

Frequently Asked Questions

What is the IUPAC name of cyano(methoxy)phosphinate?
The IUPAC name of cyano(methoxy)phosphinate (CID 86186680) is cyano(methoxy)phosphinate.
What is the SMILES notation for cyano(methoxy)phosphinate?
The canonical SMILES for cyano(methoxy)phosphinate is COP(=O)([O-])C#N.
What is the InChIKey of cyano(methoxy)phosphinate?
The InChIKey is ONAKXHJEGDNSHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4NO3P/c1-6-7(4,5)2-3/h1H3,(H,4,5)/p-1.
What are the key properties of cyano(methoxy)phosphinate?
cyano(methoxy)phosphinate has a molecular weight of 120.02 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(methoxy)phosphinate is sourced from PubChem (CID 86186680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).