3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one

C24H23NO5 — CID 108651845

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108651845) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108651845
• Molecular Formula: C24H23NO5
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.16
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
• SMILES: COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1C
• InChI: InChI=1S/C24H23NO5/c1-15-8-3-5-10-17(15)21-20(23(27)24(28)25(21)12-7-13-29-2)22(26)19-14-16-9-4-6-11-18(16)30-19/h3-6,8-11,14,21,27H,7,12-13H2,1-2H3
• InChIKey: SLJZZOMMWFHYRE-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one (CID 108651845) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1C.

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

The InChIKey is SLJZZOMMWFHYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-15-8-3-5-10-17(15)21-20(23(27)24(28)25(21)12-7-13-29-2)22(26)19-14-16-9-4-6-11-18(16)30-19/h3-6,8-11,14,21,27H,7,12-13H2,1-2H3.

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 405.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108651845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).