2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C25H23NO7 — CID 3396728

About 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 3396728) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 3396728
• Molecular Formula: C25H23NO7
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.15
• IUPAC Name: 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
• SMILES: C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)cc1OCC
• InChI: InChI=1S/C25H23NO7/c1-3-11-32-18-10-9-16(14-20(18)30-4-2)22-21(23(27)19-8-6-13-33-19)24(28)25(29)26(22)15-17-7-5-12-31-17/h3,5-10,12-14,22,28H,1,4,11,15H2,2H3
• InChIKey: FELAWBRKZJYZHG-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 102.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?

The IUPAC name of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 3396728) is 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

What is the SMILES notation for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?

The canonical SMILES for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)cc1OCC.

What is the InChIKey of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?

The InChIKey is FELAWBRKZJYZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-3-11-32-18-10-9-16(14-20(18)30-4-2)22-21(23(27)19-8-6-13-33-19)24(28)25(29)26(22)15-17-7-5-12-31-17/h3,5-10,12-14,22,28H,1,4,11,15H2,2H3.

What are the key properties of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?

2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 449.46 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 3396728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).