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

C12H19F3N2O3 — CID 107319016

IUPACN-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCO)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)8-17-7-9(6-10(17)19)11(20)16-4-2-1-3-5-18/h9,18H,1-8H2,(H,16,20)
InChIKeyHQRJEYABHMVWRW-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.68
Rot. Bonds7

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

N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 107319016) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID107319016
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCO)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)8-17-7-9(6-10(17)19)11(20)16-4-2-1-3-5-18/h9,18H,1-8H2,(H,16,20)
InChIKeyHQRJEYABHMVWRW-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 107319016) is N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCCCCCO)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HQRJEYABHMVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)8-17-7-9(6-10(17)19)11(20)16-4-2-1-3-5-18/h9,18H,1-8H2,(H,16,20).
What are the key properties of N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 107319016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).