3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C124H153FN12O2 — CID 159414746

IUPAC3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESC1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(CC)C2
InChIInChI=1S/C24H26N2.C22H28N2O2.2C20H26N2.C19H23FN2.C19H24N2/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-16-13-15-9-10-20(16)24(14-15)12-11-18-17-7-5-6-8-19(17)23-21(18)22(25)26-4-2;1-2-16-12-15-9-10-20(16)22(14-15)11-5-6-17-13-21-19-8-4-3-7-18(17)19;1-2-5-16-12-15-8-9-20(16)22(14-15)11-10-17-13-21-19-7-4-3-6-18(17)19;1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-10-16(20)4-5-17(15)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-17-12-16-5-3-4-6-18(16)20-17/h1-11,16,19,21,24-25H,12-15,17H2;5-10,15-16,20,23H,3-4,11-14H2,1-2H3;3-4,7-10,13,15-16,20-21H,2,5-6,11-12,14H2,1H3;3-4,6-9,13,15-16,20-21H,2,5,10-12,14H2,1H3;3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,12,14-15,19-20H,2,9-11,13H2,1H3
InChIKeyLPAGYWZWYNUKCK-UHFFFAOYSA-N
MW1862.67 g/mol
LogP25.91
Rot. Bonds29

About 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 159414746) has the molecular formula C124H153FN12O2 and a molecular weight of 1862.67 g/mol. Its IUPAC name is 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
PubChem CID159414746
Molecular FormulaC124H153FN12O2
Molecular Weight1862.67 g/mol
Exact Mass1861.22
IUPAC Name3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESC1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(CC)C2
InChIInChI=1S/C24H26N2.C22H28N2O2.2C20H26N2.C19H23FN2.C19H24N2/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-16-13-15-9-10-20(16)24(14-15)12-11-18-17-7-5-6-8-19(17)23-21(18)22(25)26-4-2;1-2-16-12-15-9-10-20(16)22(14-15)11-5-6-17-13-21-19-8-4-3-7-18(17)19;1-2-5-16-12-15-8-9-20(16)22(14-15)11-10-17-13-21-19-7-4-3-6-18(17)19;1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-10-16(20)4-5-17(15)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-17-12-16-5-3-4-6-18(16)20-17/h1-11,16,19,21,24-25H,12-15,17H2;5-10,15-16,20,23H,3-4,11-14H2,1-2H3;3-4,7-10,13,15-16,20-21H,2,5-6,11-12,14H2,1H3;3-4,6-9,13,15-16,20-21H,2,5,10-12,14H2,1H3;3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,12,14-15,19-20H,2,9-11,13H2,1H3
InChIKeyLPAGYWZWYNUKCK-UHFFFAOYSA-N
XLogP25.91
TPSA140.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.67
LogP ≤ 525.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole with MolForge

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Related Compounds

benzyl 1-[2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]ethyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 49865751
ethyl (19R,27S)-2,7,12,17-tetrakis(2,3,4,5,6-pentafluorophenyl)-23,28,29,30,31-pentazaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.021,25]hentriaconta-1(28),2,4,6,8(30),9,11,13,15,17,21,24-dodecaene-22-carboxylate
CID 164678769
dimethyl 3-(5-fluoro-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 11407788
dimethyl 3-(6-fluoro-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 11419019
ethyl acetate;ethyl 9-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 3-(9-methylpyrido[3,4-b]indol-3-yl)-3-oxopropanoate;ethyl 9H-pyrido[3,4-b]indole-3-carboxylate;iodomethane;1-(9-methylpyrido[3,4-b]indol-3-yl)butane-1,3-dione;1-(9-methylpyrido[3,4-b]indol-3-yl)ethanone;9-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrido[3,4-b]indole
CID 158126392
Bis(2,2'-bipyridine-kappa^2^N,N')bis(1H-indole-2-carboxylato-kappa^2^O,O')cadmium-2,2'-bipyridine-water (1/0.5/2)
CID 139081495
ethyl (19R,27S)-2,7,12,17-tetraphenyl-23,28,29,30,31-pentazaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.021,25]hentriaconta-1(28),2,4,6,8(30),9,11,13,15,17,21,24-dodecaene-22-carboxylate
CID 164678768
Aquabis(2,2'-bipyridine-k^2^N,N')(1H-indole-2-carboxylato-kappaO)nickel(II) 1H-indole-2-carboxylate dihydrate
CID 168309587
dodecacopper;hexaoxidanium;dodecakis(9H-carbazole-3,6-dicarboxylate);hexakis(pyridine)
CID 168332901
ethyl 3-[[2-(1H-indol-3-ylmethyl)-3a,7a-dihydro-1H-indol-3-yl]methyl]-1H-indole-2-carboxylate
CID 58659670
[(1S,2R,3S,5R)-3,5-bis[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxymethyl]-2-[(1R,3S)-3-[(1S,2R,3S,5R)-3,5-bis[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxymethyl]-2-(benzoyloxymethyl)cyclopentyl]cyclopentyl]cyclopentyl]methyl benzoate
CID 58883141
[(2S)-5-[[2-amino-2-(1H-indol-3-yl)acetyl]oxymethyl]-2-[3-[(1R)-3-[[2-amino-2-(1H-indol-3-yl)acetyl]oxymethyl]-5-[[2-amino-3-(1H-indol-3-yl)propanoyl]oxymethyl]-2-(benzoyloxymethyl)cyclopentyl]cyclopentyl]-3-[[2-amino-3-(1H-indol-3-yl)propanoyl]oxymethyl]cyclopentyl]methyl benzoate
CID 59034275

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 159414746) is 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(CC)C2.
What is the InChIKey of 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The InChIKey is LPAGYWZWYNUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2.C22H28N2O2.2C20H26N2.C19H23FN2.C19H24N2/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-16-13-15-9-10-20(16)24(14-15)12-11-18-17-7-5-6-8-19(17)23-21(18)22(25)26-4-2;1-2-16-12-15-9-10-20(16)22(14-15)11-5-6-17-13-21-19-8-4-3-7-18(17)19;1-2-5-16-12-15-8-9-20(16)22(14-15)11-10-17-13-21-19-7-4-3-6-18(17)19;1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-10-16(20)4-5-17(15)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-17-12-16-5-3-4-6-18(16)20-17/h1-11,16,19,21,24-25H,12-15,17H2;5-10,15-16,20,23H,3-4,11-14H2,1-2H3;3-4,7-10,13,15-16,20-21H,2,5-6,11-12,14H2,1H3;3-4,6-9,13,15-16,20-21H,2,5,10-12,14H2,1H3;3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,12,14-15,19-20H,2,9-11,13H2,1H3.
What are the key properties of 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 1862.67 g/mol, XLogP of 25.91, 29 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-benzyl-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]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 159414746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).