5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

C11H17F3N2O3 — CID 103723393

IUPAC5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC(O)C(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)16-5-7(3-9(16)18)10(19)15-4-8(17)11(12,13)14/h6-8,17H,3-5H2,1-2H3,(H,15,19)
InChIKeyBUMQLKYNAGNRJZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.28
Rot. Bonds4

About 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 103723393) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID103723393
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC(O)C(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)16-5-7(3-9(16)18)10(19)15-4-8(17)11(12,13)14/h6-8,17H,3-5H2,1-2H3,(H,15,19)
InChIKeyBUMQLKYNAGNRJZ-UHFFFAOYSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 103723393) is 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCC(O)C(F)(F)F)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is BUMQLKYNAGNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-6(2)16-5-7(3-9(16)18)10(19)15-4-8(17)11(12,13)14/h6-8,17H,3-5H2,1-2H3,(H,15,19).
What are the key properties of 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103723393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).