[amino(ethoxy)phosphoryl]formonitrile

C3H7N2O2P — CID 15249953

IUPAC[amino(ethoxy)phosphoryl]formonitrile
SMILESCCOP(N)(=O)C#N
InChIInChI=1S/C3H7N2O2P/c1-2-7-8(5,6)3-4/h2H2,1H3,(H2,5,6)
InChIKeyCALDOPABVHEJMU-UHFFFAOYSA-N
MW134.08 g/mol
LogP0.66
Rot. Bonds2

About [amino(ethoxy)phosphoryl]formonitrile

[amino(ethoxy)phosphoryl]formonitrile (PubChem CID 15249953) has the molecular formula C3H7N2O2P and a molecular weight of 134.08 g/mol. Its IUPAC name is [amino(ethoxy)phosphoryl]formonitrile.

Molecular Properties

Compound Name[amino(ethoxy)phosphoryl]formonitrile
PubChem CID15249953
Molecular FormulaC3H7N2O2P
Molecular Weight134.08 g/mol
Exact Mass134.02
IUPAC Name[amino(ethoxy)phosphoryl]formonitrile
SMILESCCOP(N)(=O)C#N
InChIInChI=1S/C3H7N2O2P/c1-2-7-8(5,6)3-4/h2H2,1H3,(H2,5,6)
InChIKeyCALDOPABVHEJMU-UHFFFAOYSA-N
XLogP0.66
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 50.66
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

cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
diaminophosphoryloxyethane
CID 12620494
diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
potassium cyanomethyl(ethoxy)phosphinate
CID 134863718
CID 175738104
CID 175738104
acetic acid;cyano(ethoxy)phosphinic acid;ethanamine
CID 173298559
disodium;ethyl phosphate
CID 11970393
tetrasodium ethyl phosphate
CID 141178132
ethyl phosphate;N-methylmethanamine
CID 19985438
sodium 2-cyanoethyl(ethoxy)phosphinate
CID 110190928
sodium ethyl methyl phosphate
CID 134607083

Frequently Asked Questions

What is the IUPAC name of [amino(ethoxy)phosphoryl]formonitrile?
The IUPAC name of [amino(ethoxy)phosphoryl]formonitrile (CID 15249953) is [amino(ethoxy)phosphoryl]formonitrile.
What is the SMILES notation for [amino(ethoxy)phosphoryl]formonitrile?
The canonical SMILES for [amino(ethoxy)phosphoryl]formonitrile is CCOP(N)(=O)C#N.
What is the InChIKey of [amino(ethoxy)phosphoryl]formonitrile?
The InChIKey is CALDOPABVHEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O2P/c1-2-7-8(5,6)3-4/h2H2,1H3,(H2,5,6).
What are the key properties of [amino(ethoxy)phosphoryl]formonitrile?
[amino(ethoxy)phosphoryl]formonitrile has a molecular weight of 134.08 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethoxy)phosphoryl]formonitrile is sourced from PubChem (CID 15249953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).