5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one

C13H15NO4S — CID 6450617

IUPAC5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H15NO4S/c1-18-13-8-7-12(15)14(13)19(16,17)10-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b10-9+
InChIKeyLQVYBXZZJPHTDB-MDZDMXLPSA-N
MW281.33 g/mol
LogP1.58
Rot. Bonds4

About 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one

5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one (PubChem CID 6450617) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
PubChem CID6450617
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H15NO4S/c1-18-13-8-7-12(15)14(13)19(16,17)10-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b10-9+
InChIKeyLQVYBXZZJPHTDB-MDZDMXLPSA-N
XLogP1.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one?
The IUPAC name of 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one (CID 6450617) is 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one is COC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one?
The InChIKey is LQVYBXZZJPHTDB-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-18-13-8-7-12(15)14(13)19(16,17)10-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b10-9+.
What are the key properties of 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one?
5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one has a molecular weight of 281.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one is sourced from PubChem (CID 6450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).