3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one

C19H19ClN2O2S — CID 58452307

IUPAC3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
SMILESCSc1ccc(/C(=C\[C@H]2CCC(=O)N2C)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-22-13(5-10-18(22)23)11-15(12-3-6-14(25-2)7-4-12)17-9-8-16(20)19(24)21-17/h3-4,6-9,11,13H,5,10H2,1-2H3,(H,21,24)/b15-11+/t13-/m1/s1
InChIKeyOWEWAZHOPDRUEU-WDGDVPDHSA-N
MW374.89 g/mol
LogP3.80
Rot. Bonds4

About 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one

3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one (PubChem CID 58452307) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
PubChem CID58452307
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
SMILESCSc1ccc(/C(=C\[C@H]2CCC(=O)N2C)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-22-13(5-10-18(22)23)11-15(12-3-6-14(25-2)7-4-12)17-9-8-16(20)19(24)21-17/h3-4,6-9,11,13H,5,10H2,1-2H3,(H,21,24)/b15-11+/t13-/m1/s1
InChIKeyOWEWAZHOPDRUEU-WDGDVPDHSA-N
XLogP3.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452373
3-chloro-6-[(E)-1-(3-methyl-4-methylsulfanylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452498
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452301
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398924
6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399192
6-[(E)-1-(4-tert-butylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-3-chloro-1H-pyridin-2-one
CID 58452252
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-chloro-6-[(E)-1-[3-chloro-4-(4-methylpentoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452440
6-[1-(3-chloro-4-methylsulfanylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67398693
3-chloro-6-[(E)-1-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452378

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one (CID 58452307) is 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one is CSc1ccc(/C(=C\[C@H]2CCC(=O)N2C)c2ccc(Cl)c(=O)[nH]2)cc1.
What is the InChIKey of 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one?
The InChIKey is OWEWAZHOPDRUEU-WDGDVPDHSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-22-13(5-10-18(22)23)11-15(12-3-6-14(25-2)7-4-12)17-9-8-16(20)19(24)21-17/h3-4,6-9,11,13H,5,10H2,1-2H3,(H,21,24)/b15-11+/t13-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one has a molecular weight of 374.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).