4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C13H15F3N2O — CID 168659957

IUPAC4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(F)(F)F)c(N2CC(CN)CC2=O)c1
InChIInChI=1S/C13H15F3N2O/c1-8-2-3-10(13(14,15)16)11(4-8)18-7-9(6-17)5-12(18)19/h2-4,9H,5-7,17H2,1H3
InChIKeyGTHZKGPULVYYDV-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.33
Rot. Bonds2

About 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 168659957) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID168659957
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(F)(F)F)c(N2CC(CN)CC2=O)c1
InChIInChI=1S/C13H15F3N2O/c1-8-2-3-10(13(14,15)16)11(4-8)18-7-9(6-17)5-12(18)19/h2-4,9H,5-7,17H2,1H3
InChIKeyGTHZKGPULVYYDV-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168684943
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
4-(aminomethyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168660629
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 168659957) is 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is Cc1ccc(C(F)(F)F)c(N2CC(CN)CC2=O)c1.
What is the InChIKey of 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is GTHZKGPULVYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-2-3-10(13(14,15)16)11(4-8)18-7-9(6-17)5-12(18)19/h2-4,9H,5-7,17H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 272.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168659957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).