1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one

C15H19NO4S — CID 6450619

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H19NO4S/c1-12(2)20-15-9-8-14(17)16(15)21(18,19)11-10-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3/b11-10+
InChIKeyXNSAJUNQAHRZLI-ZHACJKMWSA-N
MW309.39 g/mol
LogP2.36
Rot. Bonds5

About 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one

1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one (PubChem CID 6450619) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
PubChem CID6450619
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H19NO4S/c1-12(2)20-15-9-8-14(17)16(15)21(18,19)11-10-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3/b11-10+
InChIKeyXNSAJUNQAHRZLI-ZHACJKMWSA-N
XLogP2.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzylsulfonyl-2-oxopyrrolidine-3-carboxylate
CID 651998
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylsulfonyl)-
CID 3066887
2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-
CID 3086725
2-Pyrrolidinone, 5-ethoxy-1-((2-phenylethenyl)sulfonyl)-
CID 6450615
2-Pyrrolidinone, 5-methoxy-1-((2-phenylethenyl)sulfonyl)-
CID 6450617
2-Pyrrolidinone, 1-((2-phenylethenyl)sulfonyl)-5-propoxy-
CID 6450618
2-Pyrrolidinone, 5-ethoxy-1-((3-(trifluoromethyl)phenyl)sulfonyl)-
CID 3086690
2-Pyrrolidinone, 5-ethoxy-1-((4-methylphenyl)sulfonyl)-
CID 3086694
1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
CID 3086705
1-(3,5-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
CID 3086706
2-Pyrrolidinone, 5-ethoxy-1-((2-(trifluoromethyl)phenyl)sulfonyl)-
CID 3086713
2-Pyrrolidinone, 5-ethoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)-
CID 3086714

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one (CID 6450619) is 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one is CC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The InChIKey is XNSAJUNQAHRZLI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-12(2)20-15-9-8-14(17)16(15)21(18,19)11-10-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3/b11-10+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 6450619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).