4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one

C13H15NO3S — CID 168684610

IUPAC4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H15NO3S/c1-3-10-8-13(15)14(9-10)11-4-6-12(7-5-11)18(2,16)17/h3-7,10H,1,8-9H2,2H3
InChIKeyUOVCPZVJYMBYTN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.63
Rot. Bonds3

About 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one

4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 168684610) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID168684610
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H15NO3S/c1-3-10-8-13(15)14(9-10)11-4-6-12(7-5-11)18(2,16)17/h3-7,10H,1,8-9H2,2H3
InChIKeyUOVCPZVJYMBYTN-UHFFFAOYSA-N
XLogP1.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684826
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168683979
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one (CID 168684610) is 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is UOVCPZVJYMBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-10-8-13(15)14(9-10)11-4-6-12(7-5-11)18(2,16)17/h3-7,10H,1,8-9H2,2H3.
What are the key properties of 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).