1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

C25H20N2O5 — CID 108680881

IUPAC1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H20N2O5/c1-2-31-16-8-5-7-15(13-16)27-22(18-14-26-19-10-4-3-9-17(18)19)21(24(29)25(27)30)23(28)20-11-6-12-32-20/h3-14,22,26,29H,2H2,1H3
InChIKeyDALGGUXKEUVZKL-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.94
Rot. Bonds6

About 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (PubChem CID 108680881) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
PubChem CID108680881
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H20N2O5/c1-2-31-16-8-5-7-15(13-16)27-22(18-14-26-19-10-4-3-9-17(18)19)21(24(29)25(27)30)23(28)20-11-6-12-32-20/h3-14,22,26,29H,2H2,1H3
InChIKeyDALGGUXKEUVZKL-UHFFFAOYSA-N
XLogP4.94
TPSA95.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
1-(3-ethoxyphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108680880
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606657
3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108646355
4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-phenyl-2H-pyrrol-5-one
CID 108646283
3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108603497
1-(4-ethoxyphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108681251
(4E)-1-(3-ethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108680862
(4E)-1-(3-ethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108680863
1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108578646
1-(3-chlorophenyl)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602937

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (CID 108680881) is 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?
The InChIKey is DALGGUXKEUVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-2-31-16-8-5-7-15(13-16)27-22(18-14-26-19-10-4-3-9-17(18)19)21(24(29)25(27)30)23(28)20-11-6-12-32-20/h3-14,22,26,29H,2H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one has a molecular weight of 428.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108680881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).