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

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Related Compounds

Pramiracetam
CID 51712
(3S)-3-aminopyrrolidin-2-one
CID 12430456
1-Pyrrolidineacetamide, N-(2-((1-methylethyl)amino)-2-oxoethyl)-2-oxo-
CID 3050861
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-methyl-2-oxo-
CID 3050865
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-ethyl-2-oxo-
CID 3050866
(3R)-3-Aminopyrrolidin-2-one
CID 21969418
3-Aminopyrrolidin-2-one
CID 10486805
1-Methyl-3-(methylamino)pyrrolidin-2-one
CID 22277807
3-(Methylamino)pyrrolidin-2-one hydrochloride
CID 71757469
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide
CID 11240870
(2S)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11275430
2-[2-Oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 22387076

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).