4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one

C28H33NO4 — CID 43859832

About 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one

4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one (PubChem CID 43859832) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one
• PubChem CID: 43859832
• Molecular Formula: C28H33NO4
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.24
• IUPAC Name: 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one
• SMILES: COc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1CC1(c2ccccc2)CCCC1
• InChI: InChI=1S/C28H33NO4/c1-19(2)17-22(30)24-25(21-13-7-8-14-23(21)33-3)29(27(32)26(24)31)18-28(15-9-10-16-28)20-11-5-4-6-12-20/h4-8,11-14,19,25,31H,9-10,15-18H2,1-3H3
• InChIKey: FYLLQUQJDORWTD-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one (CID 43859832) is 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1CC1(c2ccccc2)CCCC1.

What is the InChIKey of 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one?

The InChIKey is FYLLQUQJDORWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-19(2)17-22(30)24-25(21-13-7-8-14-23(21)33-3)29(27(32)26(24)31)18-28(15-9-10-16-28)20-11-5-4-6-12-20/h4-8,11-14,19,25,31H,9-10,15-18H2,1-3H3.

What are the key properties of 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one?

4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one has a molecular weight of 447.58 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 43859832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).