5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

C24H20F3N3O3 — CID 3982569

About 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (PubChem CID 3982569) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.

Molecular Properties

• Compound Name: 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
• PubChem CID: 3982569
• Molecular Formula: C24H20F3N3O3
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.15
• IUPAC Name: 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
• SMILES: Cc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C2C2CCCN21
• InChI: InChI=1S/C24H20F3N3O3/c1-12-8-9-15-14(11-12)23(22(33)28-15)19-18(17-7-4-10-29(17)23)20(31)30(21(19)32)16-6-3-2-5-13(16)24(25,26)27/h2-3,5-6,8-9,11,17-19H,4,7,10H2,1H3,(H,28,33)
• InChIKey: VLBXGJZRXFCWFI-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?

The IUPAC name of 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CID 3982569) is 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.

What is the SMILES notation for 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?

The canonical SMILES for 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is Cc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C2C2CCCN21.

What is the InChIKey of 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?

The InChIKey is VLBXGJZRXFCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-12-8-9-15-14(11-12)23(22(33)28-15)19-18(17-7-4-10-29(17)23)20(31)30(21(19)32)16-6-3-2-5-13(16)24(25,26)27/h2-3,5-6,8-9,11,17-19H,4,7,10H2,1H3,(H,28,33).

What are the key properties of 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?

5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione has a molecular weight of 455.44 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is sourced from PubChem (CID 3982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).