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

C10H17NO — CID 10702243

IUPAC[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC/C=C1/CN2CC[C@H]1C[C@@H]2CO
InChIInChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,9-10,12H,3-7H2,1H3/b8-2-/t9-,10+/m0/s1
InChIKeyQZLIKRJXUOUJDG-VWYLAUSYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds1

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

[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 10702243) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID10702243
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC/C=C1/CN2CC[C@H]1C[C@@H]2CO
InChIInChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,9-10,12H,3-7H2,1H3/b8-2-/t9-,10+/m0/s1
InChIKeyQZLIKRJXUOUJDG-VWYLAUSYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 10702243) is [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol is C/C=C1/CN2CC[C@H]1C[C@@H]2CO.
What is the InChIKey of [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is QZLIKRJXUOUJDG-VWYLAUSYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,9-10,12H,3-7H2,1H3/b8-2-/t9-,10+/m0/s1.
What are the key properties of [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 10702243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).