(4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

C26H24N2O5 — CID 108609096

About (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

(4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (PubChem CID 108609096) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• PubChem CID: 108609096
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• SMILES: Cc1ccc(C2/C(=C(/O)c3ccc4c(c3)CCO4)C(=O)C(=O)N2c2ccc(N(C)C)cc2)o1
• InChI: InChI=1S/C26H24N2O5/c1-15-4-10-21(33-15)23-22(24(29)17-5-11-20-16(14-17)12-13-32-20)25(30)26(31)28(23)19-8-6-18(7-9-19)27(2)3/h4-11,14,23,29H,12-13H2,1-3H3/b24-22-
• InChIKey: JSRWSNUBZMBBKX-GYHWCHFESA-N
• XLogP: 4.22
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (CID 108609096) is (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is Cc1ccc(C2/C(=C(/O)c3ccc4c(c3)CCO4)C(=O)C(=O)N2c2ccc(N(C)C)cc2)o1.

What is the InChIKey of (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The InChIKey is JSRWSNUBZMBBKX-GYHWCHFESA-N. The full InChI is InChI=1S/C26H24N2O5/c1-15-4-10-21(33-15)23-22(24(29)17-5-11-20-16(14-17)12-13-32-20)25(30)26(31)28(23)19-8-6-18(7-9-19)27(2)3/h4-11,14,23,29H,12-13H2,1-3H3/b24-22-.

What are the key properties of (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

(4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione has a molecular weight of 444.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methylidene]-1-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108609096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).