(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

C10H17NO — CID 118871700

IUPAC(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOC/C=C1/C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1
InChIKeyNULXBWZMYUXZIF-LTAOASPFSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 118871700) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
PubChem CID118871700
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOC/C=C1/C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1
InChIKeyNULXBWZMYUXZIF-LTAOASPFSA-N
XLogP1.47
TPSA21.26 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 ≤ 51.47
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 (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (CID 118871700) is (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is COC/C=C1/C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is NULXBWZMYUXZIF-LTAOASPFSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1.
What are the key properties of (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).