[methoxy(methyl)phosphoryl] cyanate

C3H6NO3P — CID 141397128

IUPAC[methoxy(methyl)phosphoryl] cyanate
SMILESCOP(C)(=O)OC#N
InChIInChI=1S/C3H6NO3P/c1-6-8(2,5)7-3-4/h1-2H3
InChIKeyFPLNFAZTLNBXQI-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.95
Rot. Bonds2

About [methoxy(methyl)phosphoryl] cyanate

[methoxy(methyl)phosphoryl] cyanate (PubChem CID 141397128) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is [methoxy(methyl)phosphoryl] cyanate.

Molecular Properties

Compound Name[methoxy(methyl)phosphoryl] cyanate
PubChem CID141397128
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Name[methoxy(methyl)phosphoryl] cyanate
SMILESCOP(C)(=O)OC#N
InChIInChI=1S/C3H6NO3P/c1-6-8(2,5)7-3-4/h1-2H3
InChIKeyFPLNFAZTLNBXQI-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': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)phosphoryl] cyanate?
The IUPAC name of [methoxy(methyl)phosphoryl] cyanate (CID 141397128) is [methoxy(methyl)phosphoryl] cyanate.
What is the SMILES notation for [methoxy(methyl)phosphoryl] cyanate?
The canonical SMILES for [methoxy(methyl)phosphoryl] cyanate is COP(C)(=O)OC#N.
What is the InChIKey of [methoxy(methyl)phosphoryl] cyanate?
The InChIKey is FPLNFAZTLNBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c1-6-8(2,5)7-3-4/h1-2H3.
What are the key properties of [methoxy(methyl)phosphoryl] cyanate?
[methoxy(methyl)phosphoryl] cyanate 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 [methoxy(methyl)phosphoryl] cyanate is sourced from PubChem (CID 141397128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).