N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C13H21F3N2O3 — CID 103919535

IUPACN-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCCO)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)9-18-8-10(7-11(18)20)12(21)17-5-3-1-2-4-6-19/h10,19H,1-9H2,(H,17,21)
InChIKeySVNLKZKCIURYCE-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.07
Rot. Bonds8

About N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103919535) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103919535
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCCO)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)9-18-8-10(7-11(18)20)12(21)17-5-3-1-2-4-6-19/h10,19H,1-9H2,(H,17,21)
InChIKeySVNLKZKCIURYCE-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-hydroxyhexyl)-5-oxo-1-(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 N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103919535) is N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCCCCCCO)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is SVNLKZKCIURYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)9-18-8-10(7-11(18)20)12(21)17-5-3-1-2-4-6-19/h10,19H,1-9H2,(H,17,21).
What are the key properties of N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103919535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).