N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C8H11F3N2O2 — CID 60753369

IUPACN-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-12-7(15)5-2-6(14)13(3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)
InChIKeyVGNPTFHOFBVQCG-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.14
Rot. Bonds2

About N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60753369) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60753369
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-12-7(15)5-2-6(14)13(3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)
InChIKeyVGNPTFHOFBVQCG-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60753369) is N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is VGNPTFHOFBVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-12-7(15)5-2-6(14)13(3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15).
What are the key properties of N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 224.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).