3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C18H13NO5S — CID 108652917

IUPAC3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccco1)c1ccco1
InChIInChI=1S/C18H13NO5S/c20-16(13-6-2-8-24-13)14-15(12-5-1-7-23-12)19(18(22)17(14)21)10-11-4-3-9-25-11/h1-9,15,21H,10H2
InChIKeyISXLSUUVMZMHSC-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.71
Rot. Bonds5

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

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108652917) has the molecular formula C18H13NO5S and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108652917
Molecular FormulaC18H13NO5S
Molecular Weight355.37 g/mol
Exact Mass355.05
IUPAC Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccco1)c1ccco1
InChIInChI=1S/C18H13NO5S/c20-16(13-6-2-8-24-13)14-15(12-5-1-7-23-12)19(18(22)17(14)21)10-11-4-3-9-25-11/h1-9,15,21H,10H2
InChIKeyISXLSUUVMZMHSC-UHFFFAOYSA-N
XLogP3.71
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 146023819
4-[[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]methyl]benzoic acid
CID 108607381
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108657236
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1155672
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2910512
2-[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 5081639
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1155191
1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2910001
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108662437
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 108652917) is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccco1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is ISXLSUUVMZMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5S/c20-16(13-6-2-8-24-13)14-15(12-5-1-7-23-12)19(18(22)17(14)21)10-11-4-3-9-25-11/h1-9,15,21H,10H2.
What are the key properties of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 355.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108652917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).