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

C12H13F3N2O — CID 55128889

IUPAC4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18/h1-4,9H,5-7,16H2
InChIKeyXZJLAMVKYUITNU-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.76
Rot. Bonds2

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

4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 55128889) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID55128889
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18/h1-4,9H,5-7,16H2
InChIKeyXZJLAMVKYUITNU-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nebracetam
CID 65926
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11616771
N-(2-Cyclopropyl-benzyl)-N-(S)-pyrrolidin-3-yl-isobutyramide
CID 11687843
Allo-Ile-Isoindoline
CID 24784416
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CID 24894026

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 55128889) is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is XZJLAMVKYUITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18/h1-4,9H,5-7,16H2.
What are the key properties of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 55128889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).