4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one

C19H19NO5 — CID 108658530

IUPAC4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1ccc(C)o1
InChIInChI=1S/C19H19NO5/c1-4-14(21)16-17(15-10-5-11(2)25-15)20(19(23)18(16)22)12-6-8-13(24-3)9-7-12/h5-10,17,22H,4H2,1-3H3
InChIKeyFSQGSQDINBCWOU-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.48
Rot. Bonds5

About 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one

4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108658530) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108658530
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1ccc(C)o1
InChIInChI=1S/C19H19NO5/c1-4-14(21)16-17(15-10-5-11(2)25-15)20(19(23)18(16)22)12-6-8-13(24-3)9-7-12/h5-10,17,22H,4H2,1-3H3
InChIKeyFSQGSQDINBCWOU-UHFFFAOYSA-N
XLogP3.48
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108686176
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108658269
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609255
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108575948
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609454
1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108658355
4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108686611
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108658531
3-(1-benzofuran-2-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609405
1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609864

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one (CID 108658530) is 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1ccc(C)o1.
What is the InChIKey of 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is FSQGSQDINBCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-4-14(21)16-17(15-10-5-11(2)25-15)20(19(23)18(16)22)12-6-8-13(24-3)9-7-12/h5-10,17,22H,4H2,1-3H3.
What are the key properties of 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one?
4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 341.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108658530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).