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

C11H17F3N2O4 — CID 61233794

IUPACN,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCO)CCO)CN1CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16-6-8(5-9(16)19)10(20)15(1-3-17)2-4-18/h8,17-18H,1-7H2
InChIKeyJVIVMESGDDFANR-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.79
Rot. Bonds6

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

N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 61233794) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID61233794
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC NameN,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCO)CCO)CN1CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16-6-8(5-9(16)19)10(20)15(1-3-17)2-4-18/h8,17-18H,1-7H2
InChIKeyJVIVMESGDDFANR-UHFFFAOYSA-N
XLogP-0.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 61233794) is N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(CCO)CCO)CN1CC(F)(F)F.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is JVIVMESGDDFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-16-6-8(5-9(16)19)10(20)15(1-3-17)2-4-18/h8,17-18H,1-7H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 298.26 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 61233794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).