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

C21H20N2O3 — CID 110557556

IUPAC3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-26-17-11-9-15(10-12-17)18-19(22-13-5-6-14-22)21(25)23(20(18)24)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyCAUCUGYUETYXAN-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.08
Rot. Bonds4

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

3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110557556) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110557556
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-26-17-11-9-15(10-12-17)18-19(22-13-5-6-14-22)21(25)23(20(18)24)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyCAUCUGYUETYXAN-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
3-[3-(hydroxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110557578
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110555730
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574844
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110557863

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110557556) is 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCC3)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is CAUCUGYUETYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-17-11-9-15(10-12-17)18-19(22-13-5-6-14-22)21(25)23(20(18)24)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 348.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110557556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).