1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

C18H20N2O3S — CID 53161833

IUPAC1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESC=Cc1ccc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-15-7-9-16(10-8-15)14-19-11-5-6-17(18(19)21)24(22,23)20-12-3-4-13-20/h2,5-11H,1,3-4,12-14H2
InChIKeyUVTYBYJBWZTLBT-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.32
Rot. Bonds5

About 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 53161833) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID53161833
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESC=Cc1ccc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-15-7-9-16(10-8-15)14-19-11-5-6-17(18(19)21)24(22,23)20-12-3-4-13-20/h2,5-11H,1,3-4,12-14H2
InChIKeyUVTYBYJBWZTLBT-UHFFFAOYSA-N
XLogP2.32
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 53161833) is 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is C=Cc1ccc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is UVTYBYJBWZTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-15-7-9-16(10-8-15)14-19-11-5-6-17(18(19)21)24(22,23)20-12-3-4-13-20/h2,5-11H,1,3-4,12-14H2.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53161833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).