(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

C25H22N2O2 — CID 175865278

IUPAC(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@@H]2CN[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-23-21-16-26-22(19-12-6-2-7-13-19)25(21,20-14-8-3-9-15-20)24(29)27(23)17-18-10-4-1-5-11-18/h1-15,21-22,26H,16-17H2/t21-,22+,25+/m0/s1
InChIKeyMGNFOCUDLIGSBJ-SGIRGMQISA-N
MW382.46 g/mol
LogP3.45
Rot. Bonds4

About (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 175865278) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID175865278
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@@H]2CN[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-23-21-16-26-22(19-12-6-2-7-13-19)25(21,20-14-8-3-9-15-20)24(29)27(23)17-18-10-4-1-5-11-18/h1-15,21-22,26H,16-17H2/t21-,22+,25+/m0/s1
InChIKeyMGNFOCUDLIGSBJ-SGIRGMQISA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione 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 (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 175865278) is (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is O=C1[C@@H]2CN[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is MGNFOCUDLIGSBJ-SGIRGMQISA-N. The full InChI is InChI=1S/C25H22N2O2/c28-23-21-16-26-22(19-12-6-2-7-13-19)25(21,20-14-8-3-9-15-20)24(29)27(23)17-18-10-4-1-5-11-18/h1-15,21-22,26H,16-17H2/t21-,22+,25+/m0/s1.
What are the key properties of (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 382.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 175865278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).