Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate

C18H17NO2Se — CID 15337768

IUPACSe-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
SMILESO=C([Se]c1ccccc1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO2Se/c20-17-12-11-16(18(21)22-15-9-5-2-6-10-15)19(17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyJYBCNLWYGOSCQK-UHFFFAOYSA-N
MW358.30 g/mol
LogP1.73
Rot. Bonds5

About Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate

Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate (PubChem CID 15337768) has the molecular formula C18H17NO2Se and a molecular weight of 358.30 g/mol. Its IUPAC name is Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate.

Molecular Properties

Compound NameSe-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
PubChem CID15337768
Molecular FormulaC18H17NO2Se
Molecular Weight358.30 g/mol
Exact Mass359.04
IUPAC NameSe-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
SMILESO=C([Se]c1ccccc1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO2Se/c20-17-12-11-16(18(21)22-15-9-5-2-6-10-15)19(17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyJYBCNLWYGOSCQK-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068

Frequently Asked Questions

What is the IUPAC name of Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate?
The IUPAC name of Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate (CID 15337768) is Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate.
What is the SMILES notation for Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate?
The canonical SMILES for Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate is O=C([Se]c1ccccc1)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate?
The InChIKey is JYBCNLWYGOSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2Se/c20-17-12-11-16(18(21)22-15-9-5-2-6-10-15)19(17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate?
Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate has a molecular weight of 358.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate is sourced from PubChem (CID 15337768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).