4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one

C14H17NO3S — CID 168684826

IUPAC4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H17NO3S/c1-4-11-7-14(16)15(9-11)13-8-12(19(3,17)18)6-5-10(13)2/h4-6,8,11H,1,7,9H2,2-3H3
InChIKeyWKRPPAJLNRPPJG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.94
Rot. Bonds3

About 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one

4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 168684826) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID168684826
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H17NO3S/c1-4-11-7-14(16)15(9-11)13-8-12(19(3,17)18)6-5-10(13)2/h4-6,8,11H,1,7,9H2,2-3H3
InChIKeyWKRPPAJLNRPPJG-UHFFFAOYSA-N
XLogP1.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.94
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

1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
4-(chloromethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168507831
4-(aminomethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168659855
1-(2-methyl-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691075
4-ethynyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168501187
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684671
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one (CID 168684826) is 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2cc(S(C)(=O)=O)ccc2C)C1.
What is the InChIKey of 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is WKRPPAJLNRPPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-11-7-14(16)15(9-11)13-8-12(19(3,17)18)6-5-10(13)2/h4-6,8,11H,1,7,9H2,2-3H3.
What are the key properties of 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one?
4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).