1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one

C26H39FN2O4Si — CID 23985548

About 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one

1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 23985548) has the molecular formula C26H39FN2O4Si and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one
• PubChem CID: 23985548
• Molecular Formula: C26H39FN2O4Si
• Molecular Weight: 490.69 g/mol
• Exact Mass: 490.27
• IUPAC Name: 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@H]1CCc1cccc(N2CCCC2=O)c1
• InChI: InChI=1S/C26H39FN2O4Si/c1-18-22(12-11-19-7-4-8-20(15-19)28-14-6-10-24(28)31)33-23(26(18)34(2,3)27)16-25(32)29-13-5-9-21(29)17-30/h4,7-8,15,18,21-23,26,30H,5-6,9-14,16-17H2,1-3H3/t18-,21-,22+,23-,26+/m0/s1
• InChIKey: ZIRXJVPBMBRFQZ-WODZJPONSA-N
• XLogP: 4.07
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.69
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one (CID 23985548) is 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@H]1CCc1cccc(N2CCCC2=O)c1.

What is the InChIKey of 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one?

The InChIKey is ZIRXJVPBMBRFQZ-WODZJPONSA-N. The full InChI is InChI=1S/C26H39FN2O4Si/c1-18-22(12-11-19-7-4-8-20(15-19)28-14-6-10-24(28)31)33-23(26(18)34(2,3)27)16-25(32)29-13-5-9-21(29)17-30/h4,7-8,15,18,21-23,26,30H,5-6,9-14,16-17H2,1-3H3/t18-,21-,22+,23-,26+/m0/s1.

What are the key properties of 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one?

1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 490.69 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 23985548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).