1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione

C10H9Cl2NO2Se — CID 12550110

IUPAC1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C10H9Cl2NO2Se/c11-16(12,8-4-2-1-3-5-8)13-9(14)6-7-10(13)15/h1-5H,6-7H2
InChIKeyXNLJCGSFNOATQY-UHFFFAOYSA-N
MW325.05 g/mol
LogP1.46
Rot. Bonds2

About 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione

1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione (PubChem CID 12550110) has the molecular formula C10H9Cl2NO2Se and a molecular weight of 325.05 g/mol. Its IUPAC name is 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione
PubChem CID12550110
Molecular FormulaC10H9Cl2NO2Se
Molecular Weight325.05 g/mol
Exact Mass324.92
IUPAC Name1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C10H9Cl2NO2Se/c11-16(12,8-4-2-1-3-5-8)13-9(14)6-7-10(13)15/h1-5H,6-7H2
InChIKeyXNLJCGSFNOATQY-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione (CID 12550110) is 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1[Se](Cl)(Cl)c1ccccc1.
What is the InChIKey of 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione?
The InChIKey is XNLJCGSFNOATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2Se/c11-16(12,8-4-2-1-3-5-8)13-9(14)6-7-10(13)15/h1-5H,6-7H2.
What are the key properties of 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione?
1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione has a molecular weight of 325.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(phenyl)-λ4-selanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 12550110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).