1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C18H23FN2O3 — CID 108645769

IUPAC1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c1-11(2)16(22)14-15(12-7-5-6-8-13(12)19)21(10-9-20(3)4)18(24)17(14)23/h5-8,11,15,23H,9-10H2,1-4H3
InChIKeyXUNIMCYUGWOBGA-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108645769) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108645769
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c1-11(2)16(22)14-15(12-7-5-6-8-13(12)19)21(10-9-20(3)4)18(24)17(14)23/h5-8,11,15,23H,9-10H2,1-4H3
InChIKeyXUNIMCYUGWOBGA-UHFFFAOYSA-N
XLogP2.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640409
2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108644329
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2951588
1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649703
2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108645401
3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3132696
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 51111378
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108652129
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108646006
[5-[1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenyl] acetate
CID 108696879
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 3131291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108645769) is 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccccc1F.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is XUNIMCYUGWOBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-11(2)16(22)14-15(12-7-5-6-8-13(12)19)21(10-9-20(3)4)18(24)17(14)23/h5-8,11,15,23H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 334.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108645769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).