2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol

C19H24N2O — CID 521233

IUPAC2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol
SMILESC=CC1CN2CCC1CC2c1[nH]c2ccccc2c1CCO
InChIInChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
InChIKeyYAUKSCGKZYUZRH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol

2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol (PubChem CID 521233) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol
PubChem CID521233
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol
SMILESC=CC1CN2CCC1CC2c1[nH]c2ccccc2c1CCO
InChIInChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
InChIKeyYAUKSCGKZYUZRH-UHFFFAOYSA-N
XLogP3.27
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol
CID 78152171
methyl (2R)-2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
CID 154497472
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
(1S,15R,18S,19S,20S)-19-(hydroxymethyl)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
CID 11023861
[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 71311191
[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 90474504
(3R)-3-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-3-(2-hydroxyethyl)-1H-indol-2-one
CID 11197752
dimethyl 2-(3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)propanedioate
CID 22298009
[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanone
CID 11878701
3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-3-yl]propanoic acid
CID 83985900
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 8350
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol (CID 521233) is 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol is C=CC1CN2CCC1CC2c1[nH]c2ccccc2c1CCO.
What is the InChIKey of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol?
The InChIKey is YAUKSCGKZYUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2.
What are the key properties of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol?
2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol has a molecular weight of 296.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 521233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).