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

C12H19F3N2O2 — CID 51361557

IUPACN-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-3-4-7-16-10(19)11(2)6-5-9(18)17(11)8-12(13,14)15/h3-8H2,1-2H3,(H,16,19)
InChIKeyMVLAHQYIRCXZRS-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.85
Rot. Bonds5

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

N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51361557) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51361557
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-3-4-7-16-10(19)11(2)6-5-9(18)17(11)8-12(13,14)15/h3-8H2,1-2H3,(H,16,19)
InChIKeyMVLAHQYIRCXZRS-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51361557) is N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1CC(F)(F)F.
What is the InChIKey of N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is MVLAHQYIRCXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-3-4-7-16-10(19)11(2)6-5-9(18)17(11)8-12(13,14)15/h3-8H2,1-2H3,(H,16,19).
What are the key properties of N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51361557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).