1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol

C9H15NO — CID 15718170

IUPAC1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol
SMILESCC(O)C1=CN2CCC1CC2
InChIInChI=1S/C9H15NO/c1-7(11)9-6-10-4-2-8(9)3-5-10/h6-8,11H,2-5H2,1H3
InChIKeyRSTCZWRYZPSCAO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.98
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol

1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol (PubChem CID 15718170) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol
PubChem CID15718170
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol
SMILESCC(O)C1=CN2CCC1CC2
InChIInChI=1S/C9H15NO/c1-7(11)9-6-10-4-2-8(9)3-5-10/h6-8,11H,2-5H2,1H3
InChIKeyRSTCZWRYZPSCAO-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol?
The IUPAC name of 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol (CID 15718170) is 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol is CC(O)C1=CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol?
The InChIKey is RSTCZWRYZPSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)9-6-10-4-2-8(9)3-5-10/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol?
1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol has a molecular weight of 153.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)ethanol is sourced from PubChem (CID 15718170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).