[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol

C10H17NO — CID 90474504

IUPAC[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC=C[C@H]1CN2CC[C@@H]1C[C@H]2CO
InChIInChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2/t8-,9+,10-/m0/s1
InChIKeyGAFZBOMPQVRGKU-AEJSXWLSSA-N
MW167.25 g/mol
LogP0.88
Rot. Bonds2

About [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol

[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 90474504) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID90474504
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC=C[C@H]1CN2CC[C@@H]1C[C@H]2CO
InChIInChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2/t8-,9+,10-/m0/s1
InChIKeyGAFZBOMPQVRGKU-AEJSXWLSSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Quincorine
CID 10997424
Quincoridine
CID 15907567
[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 24058276
[(2S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 22831479
(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
CID 4547092
(2R,5R)-(+)-5-Vinyl-2-quinuclidinemethanol
CID 16213140
(5-Ethenyl-1-hexadecyl-1-azoniabicyclo[2.2.2]octan-2-yl)methanol
CID 135012177
1-(1-Azabicyclo[2.2.2]octan-2-yl)prop-2-en-1-ol
CID 53919056
2-Prop-2-enyl-1-azabicyclo[2.2.2]octan-3-ol
CID 69506004
3-(1-Azabicyclo[2.2.2]octan-2-yl)prop-1-en-1-ol
CID 69815114
[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 91659103
((1S,2S,5S)-5-Vinylquinuclidin-2-yl)methanol
CID 92020979

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 90474504) is [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is C=C[C@H]1CN2CC[C@@H]1C[C@H]2CO.
What is the InChIKey of [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is GAFZBOMPQVRGKU-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2/t8-,9+,10-/m0/s1.
What are the key properties of [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 90474504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).