5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C126H164BrFN12O3 — CID 157329422

About 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 157329422) has the molecular formula C126H164BrFN12O3 and a molecular weight of 1993.68 g/mol. Its IUPAC name is 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

• Compound Name: 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
• PubChem CID: 157329422
• Molecular Formula: C126H164BrFN12O3
• Molecular Weight: 1993.68 g/mol
• Exact Mass: 1991.22
• IUPAC Name: 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
• SMILES: CC(C)C1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(Br)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(C)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(CO)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(C)(CC)C2
• InChI: InChI=1S/C23H30N2O2.C21H28N2O.2C21H28N2.C20H25BrN2.C20H25FN2/c1-4-23(3)14-16-10-11-20(23)25(15-16)13-12-18-17-8-6-7-9-19(17)24-21(18)22(26)27-5-2;1-3-21(2)11-16-5-7-20(21)23(13-16)9-8-17-12-22-19-6-4-15(14-24)10-18(17)19;1-15(2)21(3)12-16-8-9-20(21)23(14-16)11-10-17-13-22-19-7-5-4-6-18(17)19;1-4-21(3)12-16-6-8-20(21)23(14-16)10-9-17-13-22-19-7-5-15(2)11-18(17)19;2*1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-6-5-16(21)10-17(15)18/h6-11,16,20,24H,4-5,12-15H2,1-3H3;4-7,10,12,16,20,22,24H,3,8-9,11,13-14H2,1-2H3;4-9,13,15-16,20,22H,10-12,14H2,1-3H3;5-8,11,13,16,20,22H,4,9-10,12,14H2,1-3H3;2*4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3
• InChIKey: BFCNTSJZEBUFEO-UHFFFAOYSA-N
• XLogP: 27.45
• TPSA: 160.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.68
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The IUPAC name of 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 157329422) is 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

What is the SMILES notation for 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The canonical SMILES for 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is CC(C)C1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(Br)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(C)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(CO)cc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(C)(CC)C2.

What is the InChIKey of 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

The InChIKey is BFCNTSJZEBUFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C21H28N2O.2C21H28N2.C20H25BrN2.C20H25FN2/c1-4-23(3)14-16-10-11-20(23)25(15-16)13-12-18-17-8-6-7-9-19(17)24-21(18)22(26)27-5-2;1-3-21(2)11-16-5-7-20(21)23(13-16)9-8-17-12-22-19-6-4-15(14-24)10-18(17)19;1-15(2)21(3)12-16-8-9-20(21)23(14-16)11-10-17-13-22-19-7-5-4-6-18(17)19;1-4-21(3)12-16-6-8-20(21)23(14-16)10-9-17-13-22-19-7-5-15(2)11-18(17)19;2*1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-6-5-16(21)10-17(15)18/h6-11,16,20,24H,4-5,12-15H2,1-3H3;4-7,10,12,16,20,22,24H,3,8-9,11,13-14H2,1-2H3;4-9,13,15-16,20,22H,10-12,14H2,1-3H3;5-8,11,13,16,20,22H,4,9-10,12,14H2,1-3H3;2*4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3.

What are the key properties of 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?

5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 1993.68 g/mol, XLogP of 27.45, 27 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 157329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).