5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one

C13H17NOSe — CID 11482936

IUPAC5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one
SMILESCC(C)([Se]c1ccccc1)C1CCC(=O)N1
InChIInChI=1S/C13H17NOSe/c1-13(2,11-8-9-12(15)14-11)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyVUHYBLSCGKNHPZ-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.49
Rot. Bonds3

About 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one

5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one (PubChem CID 11482936) has the molecular formula C13H17NOSe and a molecular weight of 282.24 g/mol. Its IUPAC name is 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one
PubChem CID11482936
Molecular FormulaC13H17NOSe
Molecular Weight282.24 g/mol
Exact Mass283.05
IUPAC Name5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one
SMILESCC(C)([Se]c1ccccc1)C1CCC(=O)N1
InChIInChI=1S/C13H17NOSe/c1-13(2,11-8-9-12(15)14-11)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyVUHYBLSCGKNHPZ-UHFFFAOYSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one 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 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one (CID 11482936) is 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one is CC(C)([Se]c1ccccc1)C1CCC(=O)N1.
What is the InChIKey of 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is VUHYBLSCGKNHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSe/c1-13(2,11-8-9-12(15)14-11)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one?
5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 282.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 11482936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).