(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H22FN3O2 — CID 165423251

About (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 165423251) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 165423251
• Molecular Formula: C23H22FN3O2
• Molecular Weight: 391.45 g/mol
• Exact Mass: 391.17
• IUPAC Name: (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CCC[C@@H]1N(C(=O)c2cc3cc(F)ccc3[nH]2)CC[C@]12C(=O)Nc1ccccc12
• InChI: InChI=1S/C23H22FN3O2/c1-2-5-20-23(16-6-3-4-7-18(16)26-22(23)29)10-11-27(20)21(28)19-13-14-12-15(24)8-9-17(14)25-19/h3-4,6-9,12-13,20,25H,2,5,10-11H2,1H3,(H,26,29)/t20-,23+/m0/s1
• InChIKey: BVGGCJMAKPCTCY-NZQKXSOJSA-N
• XLogP: 4.21
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 165423251) is (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cc3cc(F)ccc3[nH]2)CC[C@]12C(=O)Nc1ccccc12.

What is the InChIKey of (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is BVGGCJMAKPCTCY-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-2-5-20-23(16-6-3-4-7-18(16)26-22(23)29)10-11-27(20)21(28)19-13-14-12-15(24)8-9-17(14)25-19/h3-4,6-9,12-13,20,25H,2,5,10-11H2,1H3,(H,26,29)/t20-,23+/m0/s1.

What are the key properties of (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 391.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 165423251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).