Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate

C14H15NO2Se — CID 15121781

IUPACSe-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate
SMILESC=CCN1C(=O)CC[C@H]1C(=O)[Se]c1ccccc1
InChIInChI=1S/C14H15NO2Se/c1-2-10-15-12(8-9-13(15)16)14(17)18-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-/m0/s1
InChIKeyZFKSSFRUKGHPCI-LBPRGKRZSA-N
MW308.24 g/mol
LogP0.72
Rot. Bonds5

About Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate

Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate (PubChem CID 15121781) has the molecular formula C14H15NO2Se and a molecular weight of 308.24 g/mol. Its IUPAC name is Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate.

Molecular Properties

Compound NameSe-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate
PubChem CID15121781
Molecular FormulaC14H15NO2Se
Molecular Weight308.24 g/mol
Exact Mass309.03
IUPAC NameSe-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate
SMILESC=CCN1C(=O)CC[C@H]1C(=O)[Se]c1ccccc1
InChIInChI=1S/C14H15NO2Se/c1-2-10-15-12(8-9-13(15)16)14(17)18-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-/m0/s1
InChIKeyZFKSSFRUKGHPCI-LBPRGKRZSA-N
XLogP0.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate 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 Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate?
The IUPAC name of Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate (CID 15121781) is Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate.
What is the SMILES notation for Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate?
The canonical SMILES for Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate is C=CCN1C(=O)CC[C@H]1C(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate?
The InChIKey is ZFKSSFRUKGHPCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15NO2Se/c1-2-10-15-12(8-9-13(15)16)14(17)18-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-/m0/s1.
What are the key properties of Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate?
Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate has a molecular weight of 308.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl (2S)-5-oxo-1-prop-2-enylpyrrolidine-2-carboselenoate is sourced from PubChem (CID 15121781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).