(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane

C8H15NO — CID 51072183

IUPAC(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NO/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyGPCOICWXCKOIEM-DHBOJHSNSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds1

About (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane

(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane (PubChem CID 51072183) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane
PubChem CID51072183
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NO/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyGPCOICWXCKOIEM-DHBOJHSNSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane (CID 51072183) is (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane is COC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is GPCOICWXCKOIEM-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 141.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 51072183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).