dimethoxyphosphorylformonitrile

C3H6NO3P — CID 11137217

IUPACdimethoxyphosphorylformonitrile
SMILESCOP(=O)(C#N)OC
InChIInChI=1S/C3H6NO3P/c1-6-8(5,3-4)7-2/h1-2H3
InChIKeyLPMHDYUMNBBOKR-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.95
Rot. Bonds2

About dimethoxyphosphorylformonitrile

dimethoxyphosphorylformonitrile (PubChem CID 11137217) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is dimethoxyphosphorylformonitrile.

Molecular Properties

Compound Namedimethoxyphosphorylformonitrile
PubChem CID11137217
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Namedimethoxyphosphorylformonitrile
SMILESCOP(=O)(C#N)OC
InChIInChI=1S/C3H6NO3P/c1-6-8(5,3-4)7-2/h1-2H3
InChIKeyLPMHDYUMNBBOKR-UHFFFAOYSA-N
XLogP0.95
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphorylformonitrile?
The IUPAC name of dimethoxyphosphorylformonitrile (CID 11137217) is dimethoxyphosphorylformonitrile.
What is the SMILES notation for dimethoxyphosphorylformonitrile?
The canonical SMILES for dimethoxyphosphorylformonitrile is COP(=O)(C#N)OC.
What is the InChIKey of dimethoxyphosphorylformonitrile?
The InChIKey is LPMHDYUMNBBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c1-6-8(5,3-4)7-2/h1-2H3.
What are the key properties of dimethoxyphosphorylformonitrile?
dimethoxyphosphorylformonitrile has a molecular weight of 135.06 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylformonitrile is sourced from PubChem (CID 11137217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).