2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione

C28H23N3O7 — CID 58523297

About 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione

2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione (PubChem CID 58523297) has the molecular formula C28H23N3O7 and a molecular weight of 513.51 g/mol. Its IUPAC name is 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione
• PubChem CID: 58523297
• Molecular Formula: C28H23N3O7
• Molecular Weight: 513.51 g/mol
• Exact Mass: 513.15
• IUPAC Name: 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C3(CC5)NC(=O)CC3=O)CC(=O)NC1=O)C2
• InChI: InChI=1S/C28H23N3O7/c1-37-15-3-2-14-12-31(25(35)17(14)8-15)13-27(11-24(34)29-26(27)36)22-9-18-16-6-7-28(21(32)10-23(33)30-28)19(16)4-5-20(18)38-22/h2-5,8-9H,6-7,10-13H2,1H3,(H,30,33)(H,29,34,36)/t27-,28?/m1/s1
• InChIKey: RPERSSOHJLVOHR-QXPUDEPPSA-N
• XLogP: 1.61
• TPSA: 135.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.51
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione?

The IUPAC name of 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione (CID 58523297) is 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione.

What is the SMILES notation for 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione?

The canonical SMILES for 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C3(CC5)NC(=O)CC3=O)CC(=O)NC1=O)C2.

What is the InChIKey of 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione?

The InChIKey is RPERSSOHJLVOHR-QXPUDEPPSA-N. The full InChI is InChI=1S/C28H23N3O7/c1-37-15-3-2-14-12-31(25(35)17(14)8-15)13-27(11-24(34)29-26(27)36)22-9-18-16-6-7-28(21(32)10-23(33)30-28)19(16)4-5-20(18)38-22/h2-5,8-9H,6-7,10-13H2,1H3,(H,30,33)(H,29,34,36)/t27-,28?/m1/s1.

What are the key properties of 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione?

2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione has a molecular weight of 513.51 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-pyrrolidine]-2',4'-dione is sourced from PubChem (CID 58523297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).