methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate

C20H19NO6 — CID 108607522

IUPACmethyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccco2)c1
InChIInChI=1S/C20H19NO6/c1-11(2)17(22)15-16(14-8-5-9-27-14)21(19(24)18(15)23)13-7-4-6-12(10-13)20(25)26-3/h4-11,16,23H,1-3H3
InChIKeyQOLZVKJFKXEZBH-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.19
Rot. Bonds5

About methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate

methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate (PubChem CID 108607522) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
PubChem CID108607522
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namemethyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccco2)c1
InChIInChI=1S/C20H19NO6/c1-11(2)17(22)15-16(14-8-5-9-27-14)21(19(24)18(15)23)13-7-4-6-12(10-13)20(25)26-3/h4-11,16,23H,1-3H3
InChIKeyQOLZVKJFKXEZBH-UHFFFAOYSA-N
XLogP3.19
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate with MolForge

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Related Compounds

2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607609
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108653949
methyl 3-[(3Z)-2-(furan-2-yl)-3-[hydroxy-(2-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108607465
4-[(2R)-1-[3,5-bis(methoxycarbonyl)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 52909941
methyl 3-[(3Z)-3-[(4-ethoxy-3-propan-2-ylphenyl)-hydroxymethylidene]-2-(furan-2-yl)-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108607470
propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673244
N-[3-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108608047
methyl 3-[(3Z)-2-(furan-2-yl)-3-[hydroxy-(3-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108607504
1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108607091
methyl 3-[4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108665703
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
1-cyclopentyl-2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108657057

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate?
The IUPAC name of methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate (CID 108607522) is methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate.
What is the SMILES notation for methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate?
The canonical SMILES for methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate is COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccco2)c1.
What is the InChIKey of methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate?
The InChIKey is QOLZVKJFKXEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-11(2)17(22)15-16(14-8-5-9-27-14)21(19(24)18(15)23)13-7-4-6-12(10-13)20(25)26-3/h4-11,16,23H,1-3H3.
What are the key properties of methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate?
methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate has a molecular weight of 369.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate is sourced from PubChem (CID 108607522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).