1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

C33H23NO3 — CID 3531631

About 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (PubChem CID 3531631) has the molecular formula C33H23NO3 and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

Molecular Properties

• Compound Name: 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• PubChem CID: 3531631
• Molecular Formula: C33H23NO3
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.17
• IUPAC Name: 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• SMILES: O=C(c1ccccc1)C1C(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12
• InChI: InChI=1S/C33H23NO3/c35-30(23-14-5-2-6-15-23)29-28(22-12-3-1-4-13-22)33(31(36)24-16-8-9-17-25(24)32(33)37)27-20-19-21-11-7-10-18-26(21)34(27)29/h1-20,27-29H
• InChIKey: OYAZMMJZMDVENE-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 54.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The IUPAC name of 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (CID 3531631) is 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

What is the SMILES notation for 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The canonical SMILES for 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is O=C(c1ccccc1)C1C(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12.

What is the InChIKey of 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The InChIKey is OYAZMMJZMDVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO3/c35-30(23-14-5-2-6-15-23)29-28(22-12-3-1-4-13-22)33(31(36)24-16-8-9-17-25(24)32(33)37)27-20-19-21-11-7-10-18-26(21)34(27)29/h1-20,27-29H.

What are the key properties of 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione has a molecular weight of 481.55 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzoyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is sourced from PubChem (CID 3531631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).