4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C17H15F3N2O3 — CID 129480013

About 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129480013) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 129480013
• Molecular Formula: C17H15F3N2O3
• Molecular Weight: 352.31 g/mol
• Exact Mass: 352.10
• IUPAC Name: 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1cc[nH]c(=O)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F
• InChI: InChI=1S/C17H15F3N2O3/c18-17(19,20)13-4-2-1-3-12(13)14-8-11(23)9-22(14)16(25)10-5-6-21-15(24)7-10/h1-7,11,14,23H,8-9H2,(H,21,24)/t11-,14+/m0/s1
• InChIKey: MXIYSNCHFYRPOF-SMDDNHRTSA-N
• XLogP: 2.34
• TPSA: 73.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.31
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 129480013) is 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F.

What is the InChIKey of 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is MXIYSNCHFYRPOF-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-4-2-1-3-12(13)14-8-11(23)9-22(14)16(25)10-5-6-21-15(24)7-10/h1-7,11,14,23H,8-9H2,(H,21,24)/t11-,14+/m0/s1.

What are the key properties of 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 352.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129480013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).