(2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

C23H24N2O6 — CID 28747485

About (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

(2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 28747485) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 28747485
• Molecular Formula: C23H24N2O6
• Molecular Weight: 424.45 g/mol
• Exact Mass: 424.16
• IUPAC Name: (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccco3)oc12
• InChI: InChI=1S/C23H24N2O6/c1-24(2)10-6-11-25-19(15-9-5-12-30-15)18(21(27)23(25)28)20(26)17-13-14-7-4-8-16(29-3)22(14)31-17/h4-5,7-9,12-13,19,27H,6,10-11H2,1-3H3/t19-/m0/s1
• InChIKey: XYWRGUTVPXKZIH-IBGZPJMESA-N
• XLogP: 3.56
• TPSA: 96.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.45
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (CID 28747485) is (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccco3)oc12.

What is the InChIKey of (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is XYWRGUTVPXKZIH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O6/c1-24(2)10-6-11-25-19(15-9-5-12-30-15)18(21(27)23(25)28)20(26)17-13-14-7-4-8-16(29-3)22(14)31-17/h4-5,7-9,12-13,19,27H,6,10-11H2,1-3H3/t19-/m0/s1.

What are the key properties of (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?

(2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 424.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 28747485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).