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

C21H23ClN2O2 — CID 58452301

IUPAC3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)11-14-3-5-15(6-4-14)17(12-16-7-10-20(25)23-16)19-9-8-18(22)21(26)24-19/h3-6,8-9,12-13,16H,7,10-11H2,1-2H3,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1
InChIKeyRZHDGOFDHKOEBG-QRYYFKOISA-N
MW370.88 g/mol
LogP3.94
Rot. Bonds5

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

3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452301) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452301
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)11-14-3-5-15(6-4-14)17(12-16-7-10-20(25)23-16)19-9-8-18(22)21(26)24-19/h3-6,8-9,12-13,16H,7,10-11H2,1-2H3,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1
InChIKeyRZHDGOFDHKOEBG-QRYYFKOISA-N
XLogP3.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452554
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452373
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
3-chloro-6-[(E)-1-(3-chloro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452824
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398924
3-chloro-6-[(E)-1-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452378
3-chloro-6-[(E)-1-(3-methyl-4-methylsulfanylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452498
3-chloro-6-[(E)-1-[3-chloro-4-(4-methylpentoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452440
3-chloro-6-[(Z)-1-[4-(difluoromethyl)-3-methylsulfonylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399416
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
3-[1-(5-chloro-6-oxo-1H-pyridin-2-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]benzamide
CID 67400878
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452301) is 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is CC(C)Cc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1.
What is the InChIKey of 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is RZHDGOFDHKOEBG-QRYYFKOISA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)11-14-3-5-15(6-4-14)17(12-16-7-10-20(25)23-16)19-9-8-18(22)21(26)24-19/h3-6,8-9,12-13,16H,7,10-11H2,1-2H3,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 370.88 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).