1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one

C19H17NO7S — CID 21008308

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccc(O)cc1)c1ccco1
InChIInChI=1S/C19H17NO7S/c21-13-5-3-11(4-6-13)16-15(17(22)14-2-1-8-27-14)18(23)19(24)20(16)12-7-9-28(25,26)10-12/h1-6,8,12,16,21,23H,7,9-10H2
InChIKeyWWQAXIYYFKWZMY-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.75
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one

1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 21008308) has the molecular formula C19H17NO7S and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID21008308
Molecular FormulaC19H17NO7S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccc(O)cc1)c1ccco1
InChIInChI=1S/C19H17NO7S/c21-13-5-3-11(4-6-13)16-15(17(22)14-2-1-8-27-14)18(23)19(24)20(16)12-7-9-28(25,26)10-12/h1-6,8,12,16,21,23H,7,9-10H2
InChIKeyWWQAXIYYFKWZMY-UHFFFAOYSA-N
XLogP1.75
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 21008296
1-cyclopentyl-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643602
1-cyclopentyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595741
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582865
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037413
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618033
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
CID 108707879
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793342
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643046
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 75793813

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (CID 21008308) is 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccc(O)cc1)c1ccco1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WWQAXIYYFKWZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7S/c21-13-5-3-11(4-6-13)16-15(17(22)14-2-1-8-27-14)18(23)19(24)20(16)12-7-9-28(25,26)10-12/h1-6,8,12,16,21,23H,7,9-10H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 403.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 21008308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).