(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate

C22H20NOPSe — CID 137307470

IUPAC(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate
SMILESCC(=O)N/C(=C\[Se-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOPSe/c1-18(24)23-22(17-26)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H-,23,24,26)/b22-17+
InChIKeyOHMSQBPHQNECAS-OQKWZONESA-N
MW424.34 g/mol
LogP3.08
Rot. Bonds5

About (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate

(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate (PubChem CID 137307470) has the molecular formula C22H20NOPSe and a molecular weight of 424.34 g/mol. Its IUPAC name is (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate.

Molecular Properties

Compound Name(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate
PubChem CID137307470
Molecular FormulaC22H20NOPSe
Molecular Weight424.34 g/mol
Exact Mass425.04
IUPAC Name(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate
SMILESCC(=O)N/C(=C\[Se-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOPSe/c1-18(24)23-22(17-26)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H-,23,24,26)/b22-17+
InChIKeyOHMSQBPHQNECAS-OQKWZONESA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate?
The IUPAC name of (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate (CID 137307470) is (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate.
What is the SMILES notation for (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate?
The canonical SMILES for (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate is CC(=O)N/C(=C\[Se-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate?
The InChIKey is OHMSQBPHQNECAS-OQKWZONESA-N. The full InChI is InChI=1S/C22H20NOPSe/c1-18(24)23-22(17-26)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H-,23,24,26)/b22-17+.
What are the key properties of (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate?
(E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate has a molecular weight of 424.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-2-triphenylphosphaniumyletheneselenolate is sourced from PubChem (CID 137307470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).