3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

C25H24N2O6 — CID 21008411

About 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 21008411) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 21008411
• Molecular Formula: C25H24N2O6
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.16
• IUPAC Name: 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(CC(c2ccco2)N2CCCC2)C1c1cccc(O)c1)c1ccco1
• InChI: InChI=1S/C25H24N2O6/c28-17-7-3-6-16(14-17)22-21(23(29)20-9-5-13-33-20)24(30)25(31)27(22)15-18(19-8-4-12-32-19)26-10-1-2-11-26/h3-9,12-14,18,22,28,30H,1-2,10-11,15H2
• InChIKey: QZESPFJAEUMDAL-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 107.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (CID 21008411) is 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC(c2ccco2)N2CCCC2)C1c1cccc(O)c1)c1ccco1.

What is the InChIKey of 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The InChIKey is QZESPFJAEUMDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c28-17-7-3-6-16(14-17)22-21(23(29)20-9-5-13-33-20)24(30)25(31)27(22)15-18(19-8-4-12-32-19)26-10-1-2-11-26/h3-9,12-14,18,22,28,30H,1-2,10-11,15H2.

What are the key properties of 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 448.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 21008411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).