5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H12F3NO2 — CID 3044237

IUPAC5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-16-10(17)5-6-11(16,18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,18H,5-6H2,1H3
InChIKeyLAQHRWLJPYPTHH-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.10
Rot. Bonds1

About 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 3044237) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID3044237
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-16-10(17)5-6-11(16,18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,18H,5-6H2,1H3
InChIKeyLAQHRWLJPYPTHH-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 3044237) is 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is LAQHRWLJPYPTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-16-10(17)5-6-11(16,18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,18H,5-6H2,1H3.
What are the key properties of 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 3044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).