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

C10H9ClOSe — CID 13111778

IUPAC(Z)-2-(4-chlorophenyl)selanylbut-2-enal
SMILESC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClOSe/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-7H,1H3/b9-2-
InChIKeyUFLDQTVEBKCORR-MBXJOHMKSA-N
MW259.59 g/mol
LogP1.77
Rot. Bonds3

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

(Z)-2-(4-chlorophenyl)selanylbut-2-enal (PubChem CID 13111778) has the molecular formula C10H9ClOSe and a molecular weight of 259.59 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)selanylbut-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)selanylbut-2-enal
PubChem CID13111778
Molecular FormulaC10H9ClOSe
Molecular Weight259.59 g/mol
Exact Mass259.95
IUPAC Name(Z)-2-(4-chlorophenyl)selanylbut-2-enal
SMILESC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClOSe/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-7H,1H3/b9-2-
InChIKeyUFLDQTVEBKCORR-MBXJOHMKSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.59
LogP ≤ 51.77
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)selanylbut-2-enal?
The IUPAC name of (Z)-2-(4-chlorophenyl)selanylbut-2-enal (CID 13111778) is (Z)-2-(4-chlorophenyl)selanylbut-2-enal.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)selanylbut-2-enal?
The canonical SMILES for (Z)-2-(4-chlorophenyl)selanylbut-2-enal is C/C=C(/C=O)[Se]c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)selanylbut-2-enal?
The InChIKey is UFLDQTVEBKCORR-MBXJOHMKSA-N. The full InChI is InChI=1S/C10H9ClOSe/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-7H,1H3/b9-2-.
What are the key properties of (Z)-2-(4-chlorophenyl)selanylbut-2-enal?
(Z)-2-(4-chlorophenyl)selanylbut-2-enal has a molecular weight of 259.59 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)selanylbut-2-enal is sourced from PubChem (CID 13111778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).