2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C25H25NO5 — CID 4630763

About 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 4630763) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 4630763
• Molecular Formula: C25H25NO5
• Molecular Weight: 419.48 g/mol
• Exact Mass: 419.17
• IUPAC Name: 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• SMILES: Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(C(C)(C)C)cc2)o1
• InChI: InChI=1S/C25H25NO5/c1-15-7-12-19(31-15)22(27)20-21(16-8-10-17(11-9-16)25(2,3)4)26(24(29)23(20)28)14-18-6-5-13-30-18/h5-13,21,28H,14H2,1-4H3
• InChIKey: YMHICTYKZAVJHT-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 4630763) is 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(C(C)(C)C)cc2)o1.

What is the InChIKey of 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is YMHICTYKZAVJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-15-7-12-19(31-15)22(27)20-21(16-8-10-17(11-9-16)25(2,3)4)26(24(29)23(20)28)14-18-6-5-13-30-18/h5-13,21,28H,14H2,1-4H3.

What are the key properties of 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 419.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4630763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).