3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C11H11F3N2O3 — CID 62917439

IUPAC3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(O)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(18)15-8)10(19)16-4-3-6(17)5-16/h1-2,6,17H,3-5H2,(H,15,18)
InChIKeySPCCJCBNFYRWAT-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.60
Rot. Bonds1

About 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 62917439) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID62917439
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(O)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(18)15-8)10(19)16-4-3-6(17)5-16/h1-2,6,17H,3-5H2,(H,15,18)
InChIKeySPCCJCBNFYRWAT-UHFFFAOYSA-N
XLogP0.60
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 43394531
CID 43394531
CID 43415900
CID 43415900
CID 43416114
CID 43416114
CID 43417634
CID 43417634
CID 43418289
CID 43418289
CID 43573525
CID 43573525
CID 43577116
CID 43577116
CID 60708677
CID 60708677
CID 61038804
CID 61038804
CID 61234168
CID 61234168
CID 61408634
CID 61408634
CID 61582376
CID 61582376

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 62917439) is 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SPCCJCBNFYRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(18)15-8)10(19)16-4-3-6(17)5-16/h1-2,6,17H,3-5H2,(H,15,18).
What are the key properties of 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 276.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 62917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).