[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium

C6H12N2O2P+ — CID 129214442

IUPAC[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium
SMILESC[P+](C)(C)NCC(=O)OC#N
InChIInChI=1S/C6H12N2O2P/c1-11(2,3)8-4-6(9)10-5-7/h8H,4H2,1-3H3/q+1
InChIKeyZLEUVTZXELOIJM-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.42
Rot. Bonds3

About [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium

[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium (PubChem CID 129214442) has the molecular formula C6H12N2O2P+ and a molecular weight of 175.15 g/mol. Its IUPAC name is [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium.

Molecular Properties

Compound Name[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium
PubChem CID129214442
Molecular FormulaC6H12N2O2P+
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium
SMILESC[P+](C)(C)NCC(=O)OC#N
InChIInChI=1S/C6H12N2O2P/c1-11(2,3)8-4-6(9)10-5-7/h8H,4H2,1-3H3/q+1
InChIKeyZLEUVTZXELOIJM-UHFFFAOYSA-N
XLogP0.42
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
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 [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium?
The IUPAC name of [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium (CID 129214442) is [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium.
What is the SMILES notation for [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium?
The canonical SMILES for [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium is C[P+](C)(C)NCC(=O)OC#N.
What is the InChIKey of [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium?
The InChIKey is ZLEUVTZXELOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2P/c1-11(2,3)8-4-6(9)10-5-7/h8H,4H2,1-3H3/q+1.
What are the key properties of [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium?
[(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium has a molecular weight of 175.15 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-cyanato-2-oxoethyl)amino]-trimethylphosphanium is sourced from PubChem (CID 129214442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).