2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol

C11H17NO — CID 66486328

IUPAC2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol
SMILESOCCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H17NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,8-11,13H,3-7H2
InChIKeyBTYQGWSDVJEPPT-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.73
Rot. Bonds2

About 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol

2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol (PubChem CID 66486328) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol
PubChem CID66486328
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol
SMILESOCCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H17NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,8-11,13H,3-7H2
InChIKeyBTYQGWSDVJEPPT-UHFFFAOYSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol?
The IUPAC name of 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol (CID 66486328) is 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol.
What is the SMILES notation for 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol?
The canonical SMILES for 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol is OCCN1CC2C3C=CC(C3)C2C1.
What is the InChIKey of 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol?
The InChIKey is BTYQGWSDVJEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,8-11,13H,3-7H2.
What are the key properties of 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol?
2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethanol is sourced from PubChem (CID 66486328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).