1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione

C25H25N3O4 — CID 110541532

About 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione

1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 110541532) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
• PubChem CID: 110541532
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
• SMILES: O=C1C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1
• InChI: InChI=1S/C25H25N3O4/c29-24-22(18-11-13-20(14-12-18)28(31)32)23(26-16-15-17-7-5-6-10-21(17)26)25(30)27(24)19-8-3-1-2-4-9-19/h5-7,10-14,19H,1-4,8-9,15-16H2
• InChIKey: UXVMBTWZWKGOHE-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 83.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione?

The IUPAC name of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione (CID 110541532) is 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione.

What is the SMILES notation for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione?

The canonical SMILES for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione is O=C1C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1.

What is the InChIKey of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione?

The InChIKey is UXVMBTWZWKGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-24-22(18-11-13-20(14-12-18)28(31)32)23(26-16-15-17-7-5-6-10-21(17)26)25(30)27(24)19-8-3-1-2-4-9-19/h5-7,10-14,19H,1-4,8-9,15-16H2.

What are the key properties of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione?

1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 431.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110541532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).