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

C10H15F3N2O3 — CID 81343790

IUPAC5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NOCC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O3/c1-6(2)15-4-7(3-8(15)16)9(17)14-18-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyLWQKSLLNZXIWGD-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.85
Rot. Bonds4

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

5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide (PubChem CID 81343790) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
PubChem CID81343790
Molecular FormulaC10H15F3N2O3
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NOCC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O3/c1-6(2)15-4-7(3-8(15)16)9(17)14-18-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyLWQKSLLNZXIWGD-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide (CID 81343790) is 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NOCC(F)(F)F)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide?
The InChIKey is LWQKSLLNZXIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6(2)15-4-7(3-8(15)16)9(17)14-18-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide has a molecular weight of 268.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide is sourced from PubChem (CID 81343790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).