4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H13F3N2O — CID 168699945

IUPAC4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1cccc(C(F)(F)F)c1N1CC(N)CC1=O
InChIInChI=1S/C12H13F3N2O/c1-7-3-2-4-9(12(13,14)15)11(7)17-6-8(16)5-10(17)18/h2-4,8H,5-6,16H2,1H3
InChIKeyQDLBRGBKJAYTGO-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.08
Rot. Bonds1

About 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 168699945) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID168699945
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1cccc(C(F)(F)F)c1N1CC(N)CC1=O
InChIInChI=1S/C12H13F3N2O/c1-7-3-2-4-9(12(13,14)15)11(7)17-6-8(16)5-10(17)18/h2-4,8H,5-6,16H2,1H3
InChIKeyQDLBRGBKJAYTGO-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-chloro-1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168688878
4-(bromomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505232
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682229
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168699736
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(2-fluoro-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670683
1-[2-methyl-3-(trifluoromethyl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708962

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 168699945) is 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one is Cc1cccc(C(F)(F)F)c1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is QDLBRGBKJAYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-3-2-4-9(12(13,14)15)11(7)17-6-8(16)5-10(17)18/h2-4,8H,5-6,16H2,1H3.
What are the key properties of 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168699945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).