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

C19H17NO6S — CID 21008296

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C19H17NO6S/c21-17(14-7-4-9-26-14)15-16(12-5-2-1-3-6-12)20(19(23)18(15)22)13-8-10-27(24,25)11-13/h1-7,9,13,16,22H,8,10-11H2
InChIKeyFSAOVJSXKVVRAD-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.05
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 21008296) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID21008296
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C19H17NO6S/c21-17(14-7-4-9-26-14)15-16(12-5-2-1-3-6-12)20(19(23)18(15)22)13-8-10-27(24,25)11-13/h1-7,9,13,16,22H,8,10-11H2
InChIKeyFSAOVJSXKVVRAD-UHFFFAOYSA-N
XLogP2.05
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 21008308
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
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108678293
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598213
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 4756624
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one
CID 4297609
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
(2S)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 40969311

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 21008296) is 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCS(=O)(=O)C2)C1c1ccccc1)c1ccco1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is FSAOVJSXKVVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c21-17(14-7-4-9-26-14)15-16(12-5-2-1-3-6-12)20(19(23)18(15)22)13-8-10-27(24,25)11-13/h1-7,9,13,16,22H,8,10-11H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 387.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 21008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).