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

C12H17F3N2O3 — CID 103915447

IUPAC1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CC(=O)N(C2CC2)C1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-16(3-4-18)11(20)8-5-10(19)17(6-8)9-1-2-9/h8-9,18H,1-7H2
InChIKeyCUVSRPDYNNAMDO-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.38
Rot. Bonds5

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

1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103915447) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103915447
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CC(=O)N(C2CC2)C1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-16(3-4-18)11(20)8-5-10(19)17(6-8)9-1-2-9/h8-9,18H,1-7H2
InChIKeyCUVSRPDYNNAMDO-UHFFFAOYSA-N
XLogP0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103915447) is 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(C1CC(=O)N(C2CC2)C1)N(CCO)CC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is CUVSRPDYNNAMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)7-16(3-4-18)11(20)8-5-10(19)17(6-8)9-1-2-9/h8-9,18H,1-7H2.
What are the key properties of 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103915447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).