1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

C27H17Cl2NO5 — CID 2861562

About 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 2861562) has the molecular formula C27H17Cl2NO5 and a molecular weight of 506.34 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

• Compound Name: 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• PubChem CID: 2861562
• Molecular Formula: C27H17Cl2NO5
• Molecular Weight: 506.34 g/mol
• Exact Mass: 505.05
• IUPAC Name: 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• SMILES: Cc1ccc(N2C(=O)C3C(c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1
• InChI: InChI=1S/C27H17Cl2NO5/c1-13-9-11-14(12-10-13)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)35-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3
• InChIKey: VGNSGUPPRNPODM-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 80.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.34
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The IUPAC name of 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 2861562) is 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

What is the SMILES notation for 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The canonical SMILES for 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is Cc1ccc(N2C(=O)C3C(c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1.

What is the InChIKey of 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The InChIKey is VGNSGUPPRNPODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2NO5/c1-13-9-11-14(12-10-13)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)35-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3.

What are the key properties of 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 506.34 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dichlorophenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 2861562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).