1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione

C21H20N2O4 — CID 17078323

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 17078323) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
• PubChem CID: 17078323
• Molecular Formula: C21H20N2O4
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.14
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
• SMILES: O=C1CC(NC2Cc3ccccc3C2)C(=O)N1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C21H20N2O4/c24-20-12-17(22-15-9-13-3-1-2-4-14(13)10-15)21(25)23(20)16-5-6-18-19(11-16)27-8-7-26-18/h1-6,11,15,17,22H,7-10,12H2
• InChIKey: WUVRHDMIJYQMQL-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione (CID 17078323) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione is O=C1CC(NC2Cc3ccccc3C2)C(=O)N1c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?

The InChIKey is WUVRHDMIJYQMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20-12-17(22-15-9-13-3-1-2-4-14(13)10-15)21(25)23(20)16-5-6-18-19(11-16)27-8-7-26-18/h1-6,11,15,17,22H,7-10,12H2.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 364.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 17078323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).