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

C11H17F3N2O3 — CID 131946273

IUPAC1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(18)8-5-9(17)16(6-8)3-4-19-2/h8H,3-7H2,1-2H3
InChIKeyKMMJYCDIQOFFLH-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.50
Rot. Bonds5

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

1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 131946273) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID131946273
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(18)8-5-9(17)16(6-8)3-4-19-2/h8H,3-7H2,1-2H3
InChIKeyKMMJYCDIQOFFLH-UHFFFAOYSA-N
XLogP0.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 131946273) is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(C)CC(F)(F)F)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is KMMJYCDIQOFFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(18)8-5-9(17)16(6-8)3-4-19-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131946273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).