1-phenylselanylpyrrolidine-2,5-dione

C10H9NO2Se — CID 11807207

IUPAC1-phenylselanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[Se]c1ccccc1
InChIInChI=1S/C10H9NO2Se/c12-9-6-7-10(13)11(9)14-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWPQVHQFZUKWNMD-UHFFFAOYSA-N
MW254.15 g/mol
LogP0.08
Rot. Bonds2

About 1-phenylselanylpyrrolidine-2,5-dione

1-phenylselanylpyrrolidine-2,5-dione (PubChem CID 11807207) has the molecular formula C10H9NO2Se and a molecular weight of 254.15 g/mol. Its IUPAC name is 1-phenylselanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenylselanylpyrrolidine-2,5-dione
PubChem CID11807207
Molecular FormulaC10H9NO2Se
Molecular Weight254.15 g/mol
Exact Mass254.98
IUPAC Name1-phenylselanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[Se]c1ccccc1
InChIInChI=1S/C10H9NO2Se/c12-9-6-7-10(13)11(9)14-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWPQVHQFZUKWNMD-UHFFFAOYSA-N
XLogP0.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 50.08
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-phenylselanylpyrrolidine-2,5-dione?
The IUPAC name of 1-phenylselanylpyrrolidine-2,5-dione (CID 11807207) is 1-phenylselanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenylselanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-phenylselanylpyrrolidine-2,5-dione is O=C1CCC(=O)N1[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanylpyrrolidine-2,5-dione?
The InChIKey is WPQVHQFZUKWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2Se/c12-9-6-7-10(13)11(9)14-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-phenylselanylpyrrolidine-2,5-dione?
1-phenylselanylpyrrolidine-2,5-dione has a molecular weight of 254.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylpyrrolidine-2,5-dione is sourced from PubChem (CID 11807207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).