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

C11H15NO — CID 3047199

IUPAC2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol
SMILESOCCn1cc2c(c1)C1CCC2C1
InChIInChI=1S/C11H15NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h6-9,13H,1-5H2
InChIKeyYGJRYSDJJRNYJE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.85
Rot. Bonds2

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

2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol (PubChem CID 3047199) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol
PubChem CID3047199
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol
SMILESOCCn1cc2c(c1)C1CCC2C1
InChIInChI=1S/C11H15NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h6-9,13H,1-5H2
InChIKeyYGJRYSDJJRNYJE-UHFFFAOYSA-N
XLogP1.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol?
The IUPAC name of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol (CID 3047199) is 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol.
What is the SMILES notation for 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol?
The canonical SMILES for 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol is OCCn1cc2c(c1)C1CCC2C1.
What is the InChIKey of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol?
The InChIKey is YGJRYSDJJRNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h6-9,13H,1-5H2.
What are the key properties of 2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol?
2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.85, 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-dien-4-yl)ethanol is sourced from PubChem (CID 3047199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).