3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one

C19H21NO4S — CID 58452675

IUPAC3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(/C(=C\CCO)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H21NO4S/c1-25(23,24)15-8-6-13(7-9-15)16(3-2-12-21)18-11-10-17(14-4-5-14)19(22)20-18/h3,6-11,14,21H,2,4-5,12H2,1H3,(H,20,22)/b16-3+
InChIKeyXWWMMOWTCCWPFN-HQYXKAPLSA-N
MW359.45 g/mol
LogP2.47
Rot. Bonds6

About 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one

3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one (PubChem CID 58452675) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one
PubChem CID58452675
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(/C(=C\CCO)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H21NO4S/c1-25(23,24)15-8-6-13(7-9-15)16(3-2-12-21)18-11-10-17(14-4-5-14)19(22)20-18/h3,6-11,14,21H,2,4-5,12H2,1H3,(H,20,22)/b16-3+
InChIKeyXWWMMOWTCCWPFN-HQYXKAPLSA-N
XLogP2.47
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-6-[(Z)-1-(4-methylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-1H-pyridin-2-one
CID 67399450
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398857
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67398416
4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67398996
6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399192
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
6-[1-(4-cyclopropylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
CID 67399288
3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67398063

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one (CID 58452675) is 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one is CS(=O)(=O)c1ccc(/C(=C\CCO)c2ccc(C3CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one?
The InChIKey is XWWMMOWTCCWPFN-HQYXKAPLSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-25(23,24)15-8-6-13(7-9-15)16(3-2-12-21)18-11-10-17(14-4-5-14)19(22)20-18/h3,6-11,14,21H,2,4-5,12H2,1H3,(H,20,22)/b16-3+.
What are the key properties of 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one has a molecular weight of 359.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).