1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H17F3N2O3 — CID 103915627

IUPAC1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-2-15-6-8(5-9(15)18)10(19)16(3-4-17)7-11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyPTNKMEKUIUOZAF-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.24
Rot. Bonds5

About 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103915627) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103915627
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O3/c1-2-15-6-8(5-9(15)18)10(19)16(3-4-17)7-11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyPTNKMEKUIUOZAF-UHFFFAOYSA-N
XLogP0.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 58590238
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43573450
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
4-(3-Hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55179168
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103915627) is 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O.
What is the InChIKey of 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is PTNKMEKUIUOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15-6-8(5-9(15)18)10(19)16(3-4-17)7-11(12,13)14/h8,17H,2-7H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103915627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).