2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C151H184F3N13O2S2 — CID 162245673

About 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 162245673) has the molecular formula C151H184F3N13O2S2 and a molecular weight of 2334.35 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

• Compound Name: 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
• PubChem CID: 162245673
• Molecular Formula: C151H184F3N13O2S2
• Molecular Weight: 2334.35 g/mol
• Exact Mass: 2332.41
• IUPAC Name: 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
• SMILES: CC1(Cc2ccccc2)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1(C)CC2C=CC1N(CCc1csc3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2
• InChI: InChI=1S/C26H30N2O2S.C25H28N2.C21H27FN2.2C20H25FN2.C20H25NS.C19H24N2/c1-3-21-16-20-10-13-25(21)27(17-20)15-14-22-18-28(26-7-5-4-6-24(22)26)31(29,30)23-11-8-19(2)9-12-23;1-25(15-19-7-3-2-4-8-19)16-20-11-12-24(25)27(18-20)14-13-21-17-26-23-10-6-5-9-22(21)23;1-3-9-21(2)12-15-4-7-20(21)24(14-15)10-8-16-13-23-19-6-5-17(22)11-18(16)19;1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-10-16(21)5-6-17(15)18;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-19-16(15)5-4-6-17(19)21;1-3-20(2)12-15-8-9-19(20)21(13-15)11-10-16-14-22-18-7-5-4-6-17(16)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-16-12-20-18-6-4-3-5-17(16)18/h4-13,18,20-21,25H,3,14-17H2,1-2H3;2-12,17,20,24,26H,13-16,18H2,1H3;4-7,11,13,15,20,23H,3,8-10,12,14H2,1-2H3;4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3;4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-9,14-15,19H,3,10-13H2,1-2H3;3-6,11-12,14,19-20H,2,7-10,13H2,1H3
• InChIKey: ZXHKXJQCMBAUSX-UHFFFAOYSA-N
• XLogP: 33.47
• TPSA: 140.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.35
LogP ≤ 5	33.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 162245673) is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

What is the SMILES notation for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The canonical SMILES for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is CC1(Cc2ccccc2)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1(C)CC2C=CC1N(CCc1csc3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.

What is the InChIKey of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The InChIKey is ZXHKXJQCMBAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S.C25H28N2.C21H27FN2.2C20H25FN2.C20H25NS.C19H24N2/c1-3-21-16-20-10-13-25(21)27(17-20)15-14-22-18-28(26-7-5-4-6-24(22)26)31(29,30)23-11-8-19(2)9-12-23;1-25(15-19-7-3-2-4-8-19)16-20-11-12-24(25)27(18-20)14-13-21-17-26-23-10-6-5-9-22(21)23;1-3-9-21(2)12-15-4-7-20(21)24(14-15)10-8-16-13-23-19-6-5-17(22)11-18(16)19;1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-10-16(21)5-6-17(15)18;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-19-16(15)5-4-6-17(19)21;1-3-20(2)12-15-8-9-19(20)21(13-15)11-10-16-14-22-18-7-5-4-6-17(16)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-16-12-20-18-6-4-3-5-17(16)18/h4-13,18,20-21,25H,3,14-17H2,1-2H3;2-12,17,20,24,26H,13-16,18H2,1H3;4-7,11,13,15,20,23H,3,8-10,12,14H2,1-2H3;4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3;4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-9,14-15,19H,3,10-13H2,1-2H3;3-6,11-12,14,19-20H,2,7-10,13H2,1H3.

What are the key properties of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 2334.35 g/mol, XLogP of 33.47, 32 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 162245673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).