cyanomethyl(methoxy)phosphinous acid

C3H6NO2P — CID 163709063

IUPACcyanomethyl(methoxy)phosphinous acid
SMILESCOP(O)CC#N
InChIInChI=1S/C3H6NO2P/c1-6-7(5)3-2-4/h5H,3H2,1H3
InChIKeyKHPSUAMZAGOTKP-UHFFFAOYSA-N
MW119.06 g/mol
LogP0.46
Rot. Bonds2

About cyanomethyl(methoxy)phosphinous acid

cyanomethyl(methoxy)phosphinous acid (PubChem CID 163709063) has the molecular formula C3H6NO2P and a molecular weight of 119.06 g/mol. Its IUPAC name is cyanomethyl(methoxy)phosphinous acid.

Molecular Properties

Compound Namecyanomethyl(methoxy)phosphinous acid
PubChem CID163709063
Molecular FormulaC3H6NO2P
Molecular Weight119.06 g/mol
Exact Mass119.01
IUPAC Namecyanomethyl(methoxy)phosphinous acid
SMILESCOP(O)CC#N
InChIInChI=1S/C3H6NO2P/c1-6-7(5)3-2-4/h5H,3H2,1H3
InChIKeyKHPSUAMZAGOTKP-UHFFFAOYSA-N
XLogP0.46
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.06
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(methoxy)phosphanyl]methyl-methoxyphosphinous acid;tungsten;yttrium
CID 58879243
2-[cyanomethyl(methyl)phosphanyl]acetonitrile
CID 13183501
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
CID 167509215
4-methyl-3-trimethylsilyloxypent-3-enenitrile
CID 10081068
azane;2-(cyanomethylamino)acetonitrile;sulfuric acid
CID 174770143
(2S)-2-deuteriopropanenitrile
CID 136728619
lithium;dimethyl hydrogen phosphite;hydride
CID 173436739
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
[[3-cyano-1-[di(propan-2-yl)amino]propyl]amino]phosphonous acid
CID 87195101
methyl hydrogen sulfate;oxalonitrile
CID 161128067
3-methoxypropanenitrile
CID 161061289

Frequently Asked Questions

What is the IUPAC name of cyanomethyl(methoxy)phosphinous acid?
The IUPAC name of cyanomethyl(methoxy)phosphinous acid (CID 163709063) is cyanomethyl(methoxy)phosphinous acid.
What is the SMILES notation for cyanomethyl(methoxy)phosphinous acid?
The canonical SMILES for cyanomethyl(methoxy)phosphinous acid is COP(O)CC#N.
What is the InChIKey of cyanomethyl(methoxy)phosphinous acid?
The InChIKey is KHPSUAMZAGOTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2P/c1-6-7(5)3-2-4/h5H,3H2,1H3.
What are the key properties of cyanomethyl(methoxy)phosphinous acid?
cyanomethyl(methoxy)phosphinous acid has a molecular weight of 119.06 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl(methoxy)phosphinous acid is sourced from PubChem (CID 163709063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).