1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C23H24N2O5 — CID 4865764

About 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 4865764) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• PubChem CID: 4865764
• Molecular Formula: C23H24N2O5
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.17
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• SMILES: Cc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c3ccc(C)o3)cc2c1
• InChI: InChI=1S/C23H24N2O5/c1-13-5-7-16-15(11-13)12-18(30-16)21(26)19-20(17-8-6-14(2)29-17)25(10-9-24(3)4)23(28)22(19)27/h5-8,11-12,20,27H,9-10H2,1-4H3
• InChIKey: FUNWVKIJLAOVNW-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 87.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 4865764) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

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

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is Cc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c3ccc(C)o3)cc2c1.

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

The InChIKey is FUNWVKIJLAOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-13-5-7-16-15(11-13)12-18(30-16)21(26)19-20(17-8-6-14(2)29-17)25(10-9-24(3)4)23(28)22(19)27/h5-8,11-12,20,27H,9-10H2,1-4H3.

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

1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 408.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 4865764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).