(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one

C15H19ClOSe — CID 139265078

IUPAC(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one
SMILESCC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)CCCC
InChIInChI=1S/C15H19ClOSe/c1-3-5-7-14(17)15(6-4-2)18-13-10-8-12(16)9-11-13/h6,8-11H,3-5,7H2,1-2H3/b15-6-
InChIKeyOYBRBVKQVGSKTR-UUASQNMZSA-N
MW329.73 g/mol
LogP3.72
Rot. Bonds7

About (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one

(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one (PubChem CID 139265078) has the molecular formula C15H19ClOSe and a molecular weight of 329.73 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one
PubChem CID139265078
Molecular FormulaC15H19ClOSe
Molecular Weight329.73 g/mol
Exact Mass330.03
IUPAC Name(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one
SMILESCC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)CCCC
InChIInChI=1S/C15H19ClOSe/c1-3-5-7-14(17)15(6-4-2)18-13-10-8-12(16)9-11-13/h6,8-11H,3-5,7H2,1-2H3/b15-6-
InChIKeyOYBRBVKQVGSKTR-UUASQNMZSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one?
The IUPAC name of (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one (CID 139265078) is (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one?
The canonical SMILES for (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one is CC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)CCCC.
What is the InChIKey of (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one?
The InChIKey is OYBRBVKQVGSKTR-UUASQNMZSA-N. The full InChI is InChI=1S/C15H19ClOSe/c1-3-5-7-14(17)15(6-4-2)18-13-10-8-12(16)9-11-13/h6,8-11H,3-5,7H2,1-2H3/b15-6-.
What are the key properties of (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one?
(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one has a molecular weight of 329.73 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one is sourced from PubChem (CID 139265078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).