1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one

C14H17NO3 — CID 123221770

IUPAC1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCC(=O)c1cccc(N2CC(C)(C)C(O)C2=O)c1
InChIInChI=1S/C14H17NO3/c1-9(16)10-5-4-6-11(7-10)15-8-14(2,3)12(17)13(15)18/h4-7,12,17H,8H2,1-3H3
InChIKeyGZRNOZBISVIZHL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.62
Rot. Bonds2

About 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one

1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one (PubChem CID 123221770) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one
PubChem CID123221770
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCC(=O)c1cccc(N2CC(C)(C)C(O)C2=O)c1
InChIInChI=1S/C14H17NO3/c1-9(16)10-5-4-6-11(7-10)15-8-14(2,3)12(17)13(15)18/h4-7,12,17H,8H2,1-3H3
InChIKeyGZRNOZBISVIZHL-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
CID 78051323
3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
CID 11736175
(1R,2R,6R,7R)-4-(3-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124713521
17-(3-acetylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2871716
(1R,2S,6S,7R,8S,10S)-4-(3-acetylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98069349
(1S,2S,6R,7R,8R,10S)-4-(3-acetylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 2257991
(1R,2R,6R,7R)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98124505
(1R,2R,6S,7R)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 7303207
(1R,2S,6S,7R,8S,9S)-4-(3-acetylphenyl)-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173043
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
(1R,2S,6R,7R)-4-(3-acetylphenyl)-10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126378718
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one (CID 123221770) is 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one is CC(=O)c1cccc(N2CC(C)(C)C(O)C2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The InChIKey is GZRNOZBISVIZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)10-5-4-6-11(7-10)15-8-14(2,3)12(17)13(15)18/h4-7,12,17H,8H2,1-3H3.
What are the key properties of 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 123221770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).