1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one

C22H25IN2O4 — CID 3375667

About 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one

1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one (PubChem CID 3375667) has the molecular formula C22H25IN2O4 and a molecular weight of 508.36 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one
• PubChem CID: 3375667
• Molecular Formula: C22H25IN2O4
• Molecular Weight: 508.36 g/mol
• Exact Mass: 508.09
• IUPAC Name: 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one
• SMILES: CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(I)cc1
• InChI: InChI=1S/C22H25IN2O4/c1-3-24(4-2)12-6-13-25-19(15-8-10-16(23)11-9-15)18(21(27)22(25)28)20(26)17-7-5-14-29-17/h5,7-11,14,19,27H,3-4,6,12-13H2,1-2H3
• InChIKey: FHDJMJPRYQITFW-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.36
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one (CID 3375667) is 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one is CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(I)cc1.

What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one?

The InChIKey is FHDJMJPRYQITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN2O4/c1-3-24(4-2)12-6-13-25-19(15-8-10-16(23)11-9-15)18(21(27)22(25)28)20(26)17-7-5-14-29-17/h5,7-11,14,19,27H,3-4,6,12-13H2,1-2H3.

What are the key properties of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one?

1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one has a molecular weight of 508.36 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3375667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).