2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol

C11H13NO — CID 3061046

IUPAC2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol
SMILESOCCn1cc2c(c1)C1C=CC2C1
InChIInChI=1S/C11H13NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,6-9,13H,3-5H2
InChIKeyZNEBRECBLUONJO-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol

2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol (PubChem CID 3061046) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol
PubChem CID3061046
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol
SMILESOCCn1cc2c(c1)C1C=CC2C1
InChIInChI=1S/C11H13NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,6-9,13H,3-5H2
InChIKeyZNEBRECBLUONJO-UHFFFAOYSA-N
XLogP1.62
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.62
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 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol?
The IUPAC name of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol (CID 3061046) is 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol.
What is the SMILES notation for 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol?
The canonical SMILES for 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol is OCCn1cc2c(c1)C1C=CC2C1.
What is the InChIKey of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol?
The InChIKey is ZNEBRECBLUONJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,6-9,13H,3-5H2.
What are the key properties of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol?
2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol has a molecular weight of 175.23 g/mol, XLogP of 1.62, 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]deca-2,5,8-trien-4-yl)ethanol is sourced from PubChem (CID 3061046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).