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

C21H17ClN2O2 — CID 58452238

IUPAC3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2ccc(Cl)c(=O)[nH]2)c2cccc3ccccc23)N1
InChIInChI=1S/C21H17ClN2O2/c22-18-9-10-19(24-21(18)26)17(12-14-8-11-20(25)23-14)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9-10,12,14H,8,11H2,(H,23,25)(H,24,26)/b17-12+/t14-/m1/s1
InChIKeyBDMRXGBJHNKXFV-RFRKOGIWSA-N
MW364.83 g/mol
LogP3.89
Rot. Bonds3

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

3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452238) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452238
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2ccc(Cl)c(=O)[nH]2)c2cccc3ccccc23)N1
InChIInChI=1S/C21H17ClN2O2/c22-18-9-10-19(24-21(18)26)17(12-14-8-11-20(25)23-14)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9-10,12,14H,8,11H2,(H,23,25)(H,24,26)/b17-12+/t14-/m1/s1
InChIKeyBDMRXGBJHNKXFV-RFRKOGIWSA-N
XLogP3.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-[(E)-1-naphthalen-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452238) is 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(/c2ccc(Cl)c(=O)[nH]2)c2cccc3ccccc23)N1.
What is the InChIKey of 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is BDMRXGBJHNKXFV-RFRKOGIWSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-9-10-19(24-21(18)26)17(12-14-8-11-20(25)23-14)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9-10,12,14H,8,11H2,(H,23,25)(H,24,26)/b17-12+/t14-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 364.83 g/mol, XLogP of 3.89, 3 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-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).