[methoxy(methyl)phosphoryl]formonitrile

C3H6NO2P — CID 71332497

IUPAC[methoxy(methyl)phosphoryl]formonitrile
SMILESCOP(C)(=O)C#N
InChIInChI=1S/C3H6NO2P/c1-6-7(2,5)3-4/h1-2H3
InChIKeyWQFPNRULSYYNJU-UHFFFAOYSA-N
MW119.06 g/mol
LogP1.02
Rot. Bonds1

About [methoxy(methyl)phosphoryl]formonitrile

[methoxy(methyl)phosphoryl]formonitrile (PubChem CID 71332497) has the molecular formula C3H6NO2P and a molecular weight of 119.06 g/mol. Its IUPAC name is [methoxy(methyl)phosphoryl]formonitrile.

Molecular Properties

Compound Name[methoxy(methyl)phosphoryl]formonitrile
PubChem CID71332497
Molecular FormulaC3H6NO2P
Molecular Weight119.06 g/mol
Exact Mass119.01
IUPAC Name[methoxy(methyl)phosphoryl]formonitrile
SMILESCOP(C)(=O)C#N
InChIInChI=1S/C3H6NO2P/c1-6-7(2,5)3-4/h1-2H3
InChIKeyWQFPNRULSYYNJU-UHFFFAOYSA-N
XLogP1.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.06
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)phosphoryl]formonitrile?
The IUPAC name of [methoxy(methyl)phosphoryl]formonitrile (CID 71332497) is [methoxy(methyl)phosphoryl]formonitrile.
What is the SMILES notation for [methoxy(methyl)phosphoryl]formonitrile?
The canonical SMILES for [methoxy(methyl)phosphoryl]formonitrile is COP(C)(=O)C#N.
What is the InChIKey of [methoxy(methyl)phosphoryl]formonitrile?
The InChIKey is WQFPNRULSYYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2P/c1-6-7(2,5)3-4/h1-2H3.
What are the key properties of [methoxy(methyl)phosphoryl]formonitrile?
[methoxy(methyl)phosphoryl]formonitrile has a molecular weight of 119.06 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)phosphoryl]formonitrile is sourced from PubChem (CID 71332497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).