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

C12H17F3N2O3 — CID 63295341

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)6-17-5-8(3-10(17)19)11(20)16-4-9(18)7-1-2-7/h7-9,18H,1-6H2,(H,16,20)
InChIKeyPRYYKNPSNHNPFW-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.28
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63295341) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63295341
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)6-17-5-8(3-10(17)19)11(20)16-4-9(18)7-1-2-7/h7-9,18H,1-6H2,(H,16,20)
InChIKeyPRYYKNPSNHNPFW-UHFFFAOYSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63295341) is N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCC(O)C1CC1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is PRYYKNPSNHNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)6-17-5-8(3-10(17)19)11(20)16-4-9(18)7-1-2-7/h7-9,18H,1-6H2,(H,16,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63295341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).