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

C27H18ClNO6 — CID 3112157

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

5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 3112157) has the molecular formula C27H18ClNO6 and a molecular weight of 487.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• PubChem CID: 3112157
• Molecular Formula: C27H18ClNO6
• Molecular Weight: 487.90 g/mol
• Exact Mass: 487.08
• IUPAC Name: 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• SMILES: COc1cccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(Cl)cc4)C(=O)C23)c1
• InChI: InChI=1S/C27H18ClNO6/c1-34-17-6-4-5-14(13-17)22-20-21(26(33)29(25(20)32)16-11-9-15(28)10-12-16)27(35-22)23(30)18-7-2-3-8-19(18)24(27)31/h2-13,20-22H,1H3
• InChIKey: AUTGLVLNFHIWBB-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 89.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.90
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 3112157) is 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

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

The canonical SMILES for 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is COc1cccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(Cl)cc4)C(=O)C23)c1.

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

The InChIKey is AUTGLVLNFHIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO6/c1-34-17-6-4-5-14(13-17)22-20-21(26(33)29(25(20)32)16-11-9-15(28)10-12-16)27(35-22)23(30)18-7-2-3-8-19(18)24(27)31/h2-13,20-22H,1H3.

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

5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 487.90 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-1-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 3112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).