3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C27H23NO6 — CID 3265517

About 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3265517) has the molecular formula C27H23NO6 and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 3265517
• Molecular Formula: C27H23NO6
• Molecular Weight: 457.48 g/mol
• Exact Mass: 457.15
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
• SMILES: CCCOc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C27H23NO6/c1-2-13-32-19-11-9-17(10-12-19)24-23(25(29)22-15-18-6-3-4-8-21(18)34-22)26(30)27(31)28(24)16-20-7-5-14-33-20/h3-12,14-15,24,30H,2,13,16H2,1H3
• InChIKey: SUOKYLQVVHZWGU-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 93.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.48
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 3265517) is 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one?

The InChIKey is SUOKYLQVVHZWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO6/c1-2-13-32-19-11-9-17(10-12-19)24-23(25(29)22-15-18-6-3-4-8-21(18)34-22)26(30)27(31)28(24)16-20-7-5-14-33-20/h3-12,14-15,24,30H,2,13,16H2,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 457.48 g/mol, XLogP of 5.59, 8 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)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3265517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).