(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol

C21H25NO2 — CID 130217385

IUPAC(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol
SMILESC=C[C@H]1CN2CCC1CC2[C@H](O)c1cccc2ccc(OC)cc12
InChIInChI=1S/C21H25NO2/c1-3-14-13-22-10-9-16(14)11-20(22)21(23)18-6-4-5-15-7-8-17(24-2)12-19(15)18/h3-8,12,14,16,20-21,23H,1,9-11,13H2,2H3/t14-,16?,20?,21+/m0/s1
InChIKeyYGTRLBKHIZAVEL-DIOUXGOSSA-N
MW323.44 g/mol
LogP3.78
Rot. Bonds4

About (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol

(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol (PubChem CID 130217385) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol
PubChem CID130217385
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol
SMILESC=C[C@H]1CN2CCC1CC2[C@H](O)c1cccc2ccc(OC)cc12
InChIInChI=1S/C21H25NO2/c1-3-14-13-22-10-9-16(14)11-20(22)21(23)18-6-4-5-15-7-8-17(24-2)12-19(15)18/h3-8,12,14,16,20-21,23H,1,9-11,13H2,2H3/t14-,16?,20?,21+/m0/s1
InChIKeyYGTRLBKHIZAVEL-DIOUXGOSSA-N
XLogP3.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;1-naphthalen-1-yloxynaphthalene
CID 67860732
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol
CID 143470916
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
CID 71719620
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23349358
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride;hydrate
CID 51371363
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;trihydrate
CID 68846656

Frequently Asked Questions

What is the IUPAC name of (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol?
The IUPAC name of (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol (CID 130217385) is (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol is C=C[C@H]1CN2CCC1CC2[C@H](O)c1cccc2ccc(OC)cc12.
What is the InChIKey of (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol?
The InChIKey is YGTRLBKHIZAVEL-DIOUXGOSSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-14-13-22-10-9-16(14)11-20(22)21(23)18-6-4-5-15-7-8-17(24-2)12-19(15)18/h3-8,12,14,16,20-21,23H,1,9-11,13H2,2H3/t14-,16?,20?,21+/m0/s1.
What are the key properties of (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol?
(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol has a molecular weight of 323.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 130217385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).