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

C18H17ClN2O3 — CID 58452768

IUPAC3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCOc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-24-13-5-2-11(3-6-13)14(10-12-4-9-17(22)20-12)16-8-7-15(19)18(23)21-16/h2-3,5-8,10,12H,4,9H2,1H3,(H,20,22)(H,21,23)/b14-10+/t12-/m1/s1
InChIKeySYQCTPDETMEZJX-HLVNSREUSA-N
MW344.80 g/mol
LogP2.75
Rot. Bonds4

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

3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452768) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452768
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCOc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-24-13-5-2-11(3-6-13)14(10-12-4-9-17(22)20-12)16-8-7-15(19)18(23)21-16/h2-3,5-8,10,12H,4,9H2,1H3,(H,20,22)(H,21,23)/b14-10+/t12-/m1/s1
InChIKeySYQCTPDETMEZJX-HLVNSREUSA-N
XLogP2.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-[(E)-1-(4-methoxyphenyl)-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

Nocazine C
CID 56600878
Pisoniamide
CID 768471
(E)-N-(4-methoxyphenethyl)undec-2-enamide
CID 44406097
N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2093489
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one
CID 57397650
(2E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acrylamide
CID 6295221
5,6,7,8-Tetrahydro-5-[[2-(4-methoxyphenyl)ethyl]amino]-1-methyl-2(1H)-quinolinone
CID 10086884
(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide
CID 56967546
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2479846
(2E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 762728
(E)-3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 5736849
N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 768470

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452768) is 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is COc1ccc(/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-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is SYQCTPDETMEZJX-HLVNSREUSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-13-5-2-11(3-6-13)14(10-12-4-9-17(22)20-12)16-8-7-15(19)18(23)21-16/h2-3,5-8,10,12H,4,9H2,1H3,(H,20,22)(H,21,23)/b14-10+/t12-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-1-(4-methoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).