Selenium, (1-acetyl-2-oxopropylidene)diphenyl-

C17H16O2Se — CID 5231581

IUPAC—
SMILESCC(=O)C(C(C)=O)=[Se](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2Se/c1-13(18)17(14(2)19)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeySZZZCSXGOMJRRD-UHFFFAOYSA-N
MW331.27 g/mol
LogP1.23
Rot. Bonds4

About Selenium, (1-acetyl-2-oxopropylidene)diphenyl-

Selenium, (1-acetyl-2-oxopropylidene)diphenyl- (PubChem CID 5231581) has the molecular formula C17H16O2Se and a molecular weight of 331.27 g/mol.

Molecular Properties

Compound NameSelenium, (1-acetyl-2-oxopropylidene)diphenyl-
PubChem CID5231581
Molecular FormulaC17H16O2Se
Molecular Weight331.27 g/mol
Exact Mass332.03
IUPAC Name—
SMILESCC(=O)C(C(C)=O)=[Se](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2Se/c1-13(18)17(14(2)19)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeySZZZCSXGOMJRRD-UHFFFAOYSA-N
XLogP1.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Selenium, (1-acetyl-2-oxopropylidene)diphenyl-?
The IUPAC name of Selenium, (1-acetyl-2-oxopropylidene)diphenyl- (CID 5231581) is not available.
What is the SMILES notation for Selenium, (1-acetyl-2-oxopropylidene)diphenyl-?
The canonical SMILES for Selenium, (1-acetyl-2-oxopropylidene)diphenyl- is CC(=O)C(C(C)=O)=[Se](c1ccccc1)c1ccccc1.
What is the InChIKey of Selenium, (1-acetyl-2-oxopropylidene)diphenyl-?
The InChIKey is SZZZCSXGOMJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2Se/c1-13(18)17(14(2)19)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of Selenium, (1-acetyl-2-oxopropylidene)diphenyl-?
Selenium, (1-acetyl-2-oxopropylidene)diphenyl- has a molecular weight of 331.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Selenium, (1-acetyl-2-oxopropylidene)diphenyl- is sourced from PubChem (CID 5231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).