3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one

C23H25F3N2O4 — CID 67400825

About 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one

3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 67400825) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
• PubChem CID: 67400825
• Molecular Formula: C23H25F3N2O4
• Molecular Weight: 450.46 g/mol
• Exact Mass: 450.18
• IUPAC Name: 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
• SMILES: CC(C)(CO)COc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C(F)(F)F)cc2)[nH]c1=O
• InChI: InChI=1S/C23H25F3N2O4/c1-22(2,12-29)13-32-19-9-8-18(28-21(19)31)17(11-16-7-10-20(30)27-16)14-3-5-15(6-4-14)23(24,25)26/h3-6,8-9,11,16,29H,7,10,12-13H2,1-2H3,(H,27,30)(H,28,31)/b17-11-/t16-/m1/s1
• InChIKey: AOFMGDJEBYYTSX-FEEIMYBTSA-N
• XLogP: 3.50
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?

The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (CID 67400825) is 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?

The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is CC(C)(CO)COc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C(F)(F)F)cc2)[nH]c1=O.

What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?

The InChIKey is AOFMGDJEBYYTSX-FEEIMYBTSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-22(2,12-29)13-32-19-9-8-18(28-21(19)31)17(11-16-7-10-20(30)27-16)14-3-5-15(6-4-14)23(24,25)26/h3-6,8-9,11,16,29H,7,10,12-13H2,1-2H3,(H,27,30)(H,28,31)/b17-11-/t16-/m1/s1.

What are the key properties of 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?

3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 450.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67400825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).