1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

C22H22N2O4 — CID 110560804

IUPAC1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-11-18(28-2)17(14-16)24-21(25)19(15-8-4-3-5-9-15)20(22(24)26)23-12-6-7-13-23/h3-5,8-11,14H,6-7,12-13H2,1-2H3
InChIKeyWKGDYRSQLBRVBG-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110560804) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110560804
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-11-18(28-2)17(14-16)24-21(25)19(15-8-4-3-5-9-15)20(22(24)26)23-12-6-7-13-23/h3-5,8-11,14H,6-7,12-13H2,1-2H3
InChIKeyWKGDYRSQLBRVBG-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544926
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
1-(2,4-dimethoxyphenyl)-3-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110542451
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
1-(2,5-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573656
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291
3-(4-ethylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557994
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110560804) is 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is WKGDYRSQLBRVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-16-10-11-18(28-2)17(14-16)24-21(25)19(15-8-4-3-5-9-15)20(22(24)26)23-12-6-7-13-23/h3-5,8-11,14H,6-7,12-13H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110560804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).