[ethyl(methyl)phosphoryl]formonitrile

C4H8NOP — CID 157348132

IUPAC[ethyl(methyl)phosphoryl]formonitrile
SMILESCCP(C)(=O)C#N
InChIInChI=1S/C4H8NOP/c1-3-7(2,6)4-5/h3H2,1-2H3
InChIKeyKTOYSGKGTGCLAA-UHFFFAOYSA-N
MW117.09 g/mol
LogP1.48
Rot. Bonds1

About [ethyl(methyl)phosphoryl]formonitrile

[ethyl(methyl)phosphoryl]formonitrile (PubChem CID 157348132) has the molecular formula C4H8NOP and a molecular weight of 117.09 g/mol. Its IUPAC name is [ethyl(methyl)phosphoryl]formonitrile.

Molecular Properties

Compound Name[ethyl(methyl)phosphoryl]formonitrile
PubChem CID157348132
Molecular FormulaC4H8NOP
Molecular Weight117.09 g/mol
Exact Mass117.03
IUPAC Name[ethyl(methyl)phosphoryl]formonitrile
SMILESCCP(C)(=O)C#N
InChIInChI=1S/C4H8NOP/c1-3-7(2,6)4-5/h3H2,1-2H3
InChIKeyKTOYSGKGTGCLAA-UHFFFAOYSA-N
XLogP1.48
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.09
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutylphosphorylformonitrile
CID 23514201
2-diethylphosphoryloxyacetonitrile
CID 175001568
CID 175738104
CID 175738104
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
formaldehyde;pentakis(propanenitrile);tungsten
CID 172863037
[cyanato(cyano)phosphoryl] cyanate
CID 151662498
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
bis(ethylperoxy)phosphoryl cyanate
CID 172555592
diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
CID 86082466
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
CID 158186964

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)phosphoryl]formonitrile?
The IUPAC name of [ethyl(methyl)phosphoryl]formonitrile (CID 157348132) is [ethyl(methyl)phosphoryl]formonitrile.
What is the SMILES notation for [ethyl(methyl)phosphoryl]formonitrile?
The canonical SMILES for [ethyl(methyl)phosphoryl]formonitrile is CCP(C)(=O)C#N.
What is the InChIKey of [ethyl(methyl)phosphoryl]formonitrile?
The InChIKey is KTOYSGKGTGCLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NOP/c1-3-7(2,6)4-5/h3H2,1-2H3.
What are the key properties of [ethyl(methyl)phosphoryl]formonitrile?
[ethyl(methyl)phosphoryl]formonitrile has a molecular weight of 117.09 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)phosphoryl]formonitrile is sourced from PubChem (CID 157348132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).