5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

C31H26N4O5 — CID 4966264

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (PubChem CID 4966264) has the molecular formula C31H26N4O5 and a molecular weight of 534.57 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
• PubChem CID: 4966264
• Molecular Formula: C31H26N4O5
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.19
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
• SMILES: Cc1ccc2c(c1)C1(NC(Cc3c[nH]c4ccccc34)C3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)C31)C(=O)N2
• InChI: InChI=1S/C31H26N4O5/c1-16-6-8-22-20(12-16)31(30(38)33-22)27-26(23(34-31)13-17-15-32-21-5-3-2-4-19(17)21)28(36)35(29(27)37)18-7-9-24-25(14-18)40-11-10-39-24/h2-9,12,14-15,23,26-27,32,34H,10-11,13H2,1H3,(H,33,38)
• InChIKey: PWDIAPLOLMCRTB-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (CID 4966264) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is Cc1ccc2c(c1)C1(NC(Cc3c[nH]c4ccccc34)C3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)C31)C(=O)N2.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The InChIKey is PWDIAPLOLMCRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O5/c1-16-6-8-22-20(12-16)31(30(38)33-22)27-26(23(34-31)13-17-15-32-21-5-3-2-4-19(17)21)28(36)35(29(27)37)18-7-9-24-25(14-18)40-11-10-39-24/h2-9,12,14-15,23,26-27,32,34H,10-11,13H2,1H3,(H,33,38).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione has a molecular weight of 534.57 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is sourced from PubChem (CID 4966264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).