methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate

C11H11ClO2Se — CID 134889336

IUPACmethyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate
SMILESC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C11H11ClO2Se/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h3-7H,1-2H3/b10-3-
InChIKeyORPVKBACCWKIGV-KMKOMSMNSA-N
MW289.62 g/mol
LogP1.75
Rot. Bonds3

About methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate

methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate (PubChem CID 134889336) has the molecular formula C11H11ClO2Se and a molecular weight of 289.62 g/mol. Its IUPAC name is methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate
PubChem CID134889336
Molecular FormulaC11H11ClO2Se
Molecular Weight289.62 g/mol
Exact Mass289.96
IUPAC Namemethyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate
SMILESC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C11H11ClO2Se/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h3-7H,1-2H3/b10-3-
InChIKeyORPVKBACCWKIGV-KMKOMSMNSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.62
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate 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 methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate?
The IUPAC name of methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate (CID 134889336) is methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate.
What is the SMILES notation for methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate?
The canonical SMILES for methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate is C/C=C(\[Se]c1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate?
The InChIKey is ORPVKBACCWKIGV-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H11ClO2Se/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h3-7H,1-2H3/b10-3-.
What are the key properties of methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate?
methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate has a molecular weight of 289.62 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(4-chlorophenyl)selanylbut-2-enoate is sourced from PubChem (CID 134889336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).