3-methylidene-1-azabicyclo[2.2.2]octan-2-ol

C8H13NO — CID 23295049

IUPAC3-methylidene-1-azabicyclo[2.2.2]octan-2-ol
SMILESC=C1C2CCN(CC2)C1O
InChIInChI=1S/C8H13NO/c1-6-7-2-4-9(5-3-7)8(6)10/h7-8,10H,1-5H2
InChIKeyVKGRQLOXUWJCOZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.59
Rot. Bonds

About 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol

3-methylidene-1-azabicyclo[2.2.2]octan-2-ol (PubChem CID 23295049) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name3-methylidene-1-azabicyclo[2.2.2]octan-2-ol
PubChem CID23295049
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methylidene-1-azabicyclo[2.2.2]octan-2-ol
SMILESC=C1C2CCN(CC2)C1O
InChIInChI=1S/C8H13NO/c1-6-7-2-4-9(5-3-7)8(6)10/h7-8,10H,1-5H2
InChIKeyVKGRQLOXUWJCOZ-UHFFFAOYSA-N
XLogP0.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.59
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 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol?
The IUPAC name of 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol (CID 23295049) is 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol is C=C1C2CCN(CC2)C1O.
What is the InChIKey of 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol?
The InChIKey is VKGRQLOXUWJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7-2-4-9(5-3-7)8(6)10/h7-8,10H,1-5H2.
What are the key properties of 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol?
3-methylidene-1-azabicyclo[2.2.2]octan-2-ol has a molecular weight of 139.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-azabicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 23295049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).