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

C23H16N2O5 — CID 108656085

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

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108656085) has the molecular formula C23H16N2O5 and a molecular weight of 400.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108656085
• Molecular Formula: C23H16N2O5
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.11
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(Cc2ccccn2)C1c1ccco1)c1cc2ccccc2o1
• InChI: InChI=1S/C23H16N2O5/c26-21(18-12-14-6-1-2-8-16(14)30-18)19-20(17-9-5-11-29-17)25(23(28)22(19)27)13-15-7-3-4-10-24-15/h1-12,20,27H,13H2
• InChIKey: XWOCEFPKKBVXMG-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 96.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	4.20
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-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108656085) is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccccn2)C1c1ccco1)c1cc2ccccc2o1.

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

The InChIKey is XWOCEFPKKBVXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5/c26-21(18-12-14-6-1-2-8-16(14)30-18)19-20(17-9-5-11-29-17)25(23(28)22(19)27)13-15-7-3-4-10-24-15/h1-12,20,27H,13H2.

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

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 400.39 g/mol, XLogP of 4.20, 5 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-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108656085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).