6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one

C21H23ClN2O2 — CID 58452617

IUPAC6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one
SMILESCCc1ccc(/C(=C\[C@H]2CCC(C(C)=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-14-4-6-15(7-5-14)17(20-11-9-18(22)21(26)24-20)12-16-8-10-19(23-16)13(2)25/h4-7,9,11-12,16,19,23H,3,8,10H2,1-2H3,(H,24,26)/b17-12+/t16-,19?/m1/s1
InChIKeyJZYFMAWXCULIFO-CIRHSKTRSA-N
MW370.88 g/mol
LogP3.73
Rot. Bonds5

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

6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one (PubChem CID 58452617) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one
PubChem CID58452617
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one
SMILESCCc1ccc(/C(=C\[C@H]2CCC(C(C)=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-14-4-6-15(7-5-14)17(20-11-9-18(22)21(26)24-20)12-16-8-10-19(23-16)13(2)25/h4-7,9,11-12,16,19,23H,3,8,10H2,1-2H3,(H,24,26)/b17-12+/t16-,19?/m1/s1
InChIKeyJZYFMAWXCULIFO-CIRHSKTRSA-N
XLogP3.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452301
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
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-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398924
3-chloro-6-[(E)-1-(3-methyl-4-methylsulfanylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452498
3-[1-(5-chloro-6-oxo-1H-pyridin-2-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]benzamide
CID 67400878
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)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452307
3-chloro-6-[1-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399500
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398700
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one (CID 58452617) is 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one is CCc1ccc(/C(=C\[C@H]2CCC(C(C)=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one?
The InChIKey is JZYFMAWXCULIFO-CIRHSKTRSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-14-4-6-15(7-5-14)17(20-11-9-18(22)21(26)24-20)12-16-8-10-19(23-16)13(2)25/h4-7,9,11-12,16,19,23H,3,8,10H2,1-2H3,(H,24,26)/b17-12+/t16-,19?/m1/s1.
What are the key properties of 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one?
6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one has a molecular weight of 370.88 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[(2R)-5-acetylpyrrolidin-2-yl]-1-(4-ethylphenyl)ethenyl]-3-chloro-1H-pyridin-2-one is sourced from PubChem (CID 58452617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).