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

C12H19F3N2O2 — CID 51361561

IUPACN-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-10(2,3)16-9(19)11(4)6-5-8(18)17(11)7-12(13,14)15/h5-7H2,1-4H3,(H,16,19)
InChIKeyJGPLWZHASSLURS-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.84
Rot. Bonds2

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

N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51361561) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51361561
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-10(2,3)16-9(19)11(4)6-5-8(18)17(11)7-12(13,14)15/h5-7H2,1-4H3,(H,16,19)
InChIKeyJGPLWZHASSLURS-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51361561) is N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C)(C)NC(=O)C1(C)CCC(=O)N1CC(F)(F)F.
What is the InChIKey of N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is JGPLWZHASSLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-10(2,3)16-9(19)11(4)6-5-8(18)17(11)7-12(13,14)15/h5-7H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51361561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).