4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

C11H13F3N2O2 — CID 113339622

IUPAC4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(18)7-5-9(17)15-6-7/h1,7H,2-6H2,(H,15,17)
InChIKeyRQSNHGGPNQLLFS-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.84
Rot. Bonds1

About 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (PubChem CID 113339622) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
PubChem CID113339622
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(18)7-5-9(17)15-6-7/h1,7H,2-6H2,(H,15,17)
InChIKeyRQSNHGGPNQLLFS-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 72052837
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764723
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764724
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106313755
(3-propan-2-ylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106981339
N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 113465961
3,6-dihydro-2H-pyridin-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581268
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581338
4-amino-3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113591622
3-(ethylamino)-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591634
(2-methylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591635
(3-methylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591641

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (CID 113339622) is 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1.
What is the InChIKey of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RQSNHGGPNQLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(18)7-5-9(17)15-6-7/h1,7H,2-6H2,(H,15,17).
What are the key properties of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 262.23 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 113339622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).