3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one

C25H19NO6 — CID 108655839

About 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 108655839) has the molecular formula C25H19NO6 and a molecular weight of 429.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
• PubChem CID: 108655839
• Molecular Formula: C25H19NO6
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.12
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
• SMILES: COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccco2)cc1
• InChI: InChI=1S/C25H19NO6/c1-30-17-10-8-15(9-11-17)14-26-22(19-7-4-12-31-19)21(24(28)25(26)29)23(27)20-13-16-5-2-3-6-18(16)32-20/h2-13,22,28H,14H2,1H3
• InChIKey: POEODGWFLXONNL-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 93.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one (CID 108655839) is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccco2)cc1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?

The InChIKey is POEODGWFLXONNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO6/c1-30-17-10-8-15(9-11-17)14-26-22(19-7-4-12-31-19)21(24(28)25(26)29)23(27)20-13-16-5-2-3-6-18(16)32-20/h2-13,22,28H,14H2,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 429.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108655839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).