(Z)-2-(4-chlorophenyl)selanylpent-2-enal

C11H11ClOSe — CID 139265075

IUPAC(Z)-2-(4-chlorophenyl)selanylpent-2-enal
SMILESCC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClOSe/c1-2-3-11(8-13)14-10-6-4-9(12)5-7-10/h3-8H,2H2,1H3/b11-3-
InChIKeyNZIZKFRRNFUFST-JYOAFUTRSA-N
MW273.62 g/mol
LogP2.16
Rot. Bonds4

About (Z)-2-(4-chlorophenyl)selanylpent-2-enal

(Z)-2-(4-chlorophenyl)selanylpent-2-enal (PubChem CID 139265075) has the molecular formula C11H11ClOSe and a molecular weight of 273.62 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)selanylpent-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)selanylpent-2-enal
PubChem CID139265075
Molecular FormulaC11H11ClOSe
Molecular Weight273.62 g/mol
Exact Mass273.97
IUPAC Name(Z)-2-(4-chlorophenyl)selanylpent-2-enal
SMILESCC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClOSe/c1-2-3-11(8-13)14-10-6-4-9(12)5-7-10/h3-8H,2H2,1H3/b11-3-
InChIKeyNZIZKFRRNFUFST-JYOAFUTRSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.62
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-chlorophenyl)selanylpent-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)selanylpent-2-enal?
The IUPAC name of (Z)-2-(4-chlorophenyl)selanylpent-2-enal (CID 139265075) is (Z)-2-(4-chlorophenyl)selanylpent-2-enal.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)selanylpent-2-enal?
The canonical SMILES for (Z)-2-(4-chlorophenyl)selanylpent-2-enal is CC/C=C(/C=O)[Se]c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)selanylpent-2-enal?
The InChIKey is NZIZKFRRNFUFST-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H11ClOSe/c1-2-3-11(8-13)14-10-6-4-9(12)5-7-10/h3-8H,2H2,1H3/b11-3-.
What are the key properties of (Z)-2-(4-chlorophenyl)selanylpent-2-enal?
(Z)-2-(4-chlorophenyl)selanylpent-2-enal has a molecular weight of 273.62 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)selanylpent-2-enal is sourced from PubChem (CID 139265075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).