3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C7H11F3N2O — CID 54592921

IUPAC3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCNC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O/c1-11-5-2-3-12(6(5)13)4-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyLBAHDDQZOVYEQJ-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds2

About 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 54592921) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID54592921
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCNC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O/c1-11-5-2-3-12(6(5)13)4-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyLBAHDDQZOVYEQJ-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 54592921) is 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CNC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is LBAHDDQZOVYEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-5-2-3-12(6(5)13)4-7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 196.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 54592921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).