3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one

C21H17NO6 — CID 108657236

IUPAC3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)c1
InChIInChI=1S/C21H17NO6/c1-26-14-6-2-5-13(11-14)12-22-18(15-7-3-9-27-15)17(20(24)21(22)25)19(23)16-8-4-10-28-16/h2-11,18,24H,12H2,1H3
InChIKeyZZURFKCMBYGANT-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.66
Rot. Bonds6

About 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 108657236) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
PubChem CID108657236
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)c1
InChIInChI=1S/C21H17NO6/c1-26-14-6-2-5-13(11-14)12-22-18(15-7-3-9-27-15)17(20(24)21(22)25)19(23)16-8-4-10-28-16/h2-11,18,24H,12H2,1H3
InChIKeyZZURFKCMBYGANT-UHFFFAOYSA-N
XLogP3.66
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839
1-(3,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108606831
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 3147555
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[(3-ethoxyphenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608577
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401787
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108652917
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3152749
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793372
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609711
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108657218
2-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3339500

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one (CID 108657236) is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one is COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The InChIKey is ZZURFKCMBYGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c1-26-14-6-2-5-13(11-14)12-22-18(15-7-3-9-27-15)17(20(24)21(22)25)19(23)16-8-4-10-28-16/h2-11,18,24H,12H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 379.37 g/mol, XLogP of 3.66, 6 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-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108657236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).