5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one

C14H17NO4S — CID 3087418

IUPAC5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H17NO4S/c1-2-19-14-9-8-13(16)15(14)20(17,18)11-10-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyRWURZOCIKRPZCG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.97
Rot. Bonds5

About 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one

5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one (PubChem CID 3087418) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one
PubChem CID3087418
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H17NO4S/c1-2-19-14-9-8-13(16)15(14)20(17,18)11-10-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyRWURZOCIKRPZCG-UHFFFAOYSA-N
XLogP1.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one (CID 3087418) is 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one?
The InChIKey is RWURZOCIKRPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-2-19-14-9-8-13(16)15(14)20(17,18)11-10-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3.
What are the key properties of 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one?
5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one is sourced from PubChem (CID 3087418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).