1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C22H25NO4 — CID 108658702

IUPAC1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C)c(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(C)o2)c1
InChIInChI=1S/C22H25NO4/c1-12-7-8-13(2)15(11-12)23-18(16-10-9-14(3)27-16)17(19(24)21(23)26)20(25)22(4,5)6/h7-11,18,24H,1-6H3
InChIKeyBQXBBBZOSHMUDI-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.72
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 108658702) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
PubChem CID108658702
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C)c(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(C)o2)c1
InChIInChI=1S/C22H25NO4/c1-12-7-8-13(2)15(11-12)23-18(16-10-9-14(3)27-16)17(19(24)21(23)26)20(25)22(4,5)6/h7-11,18,24H,1-6H3
InChIKeyBQXBBBZOSHMUDI-UHFFFAOYSA-N
XLogP4.72
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108576033
1-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658789
1-(2,5-difluorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659746
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-methoxyphenyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659224
1-(3-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659050
4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-2H-pyrrol-1-yl]benzonitrile
CID 108659485
1-(5-chloro-2-methylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593462
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660323
(4Z)-1-(2,5-dimethylphenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108658671
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630190
1-(2,4-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108577890

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 108658702) is 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(C)o2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The InChIKey is BQXBBBZOSHMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-12-7-8-13(2)15(11-12)23-18(16-10-9-14(3)27-16)17(19(24)21(23)26)20(25)22(4,5)6/h7-11,18,24H,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 367.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108658702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).