1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride

C10H18ClNO3 — CID 17141162

IUPAC1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1CN2CCC1CC2.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-2-13-10(12)14-9-7-11-5-3-8(9)4-6-11;/h8-9H,2-7H2,1H3;1H
InChIKeyUJQJBOUOAZLHFE-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.68
Rot. Bonds2

About 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride

1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride (PubChem CID 17141162) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride
PubChem CID17141162
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1CN2CCC1CC2.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-2-13-10(12)14-9-7-11-5-3-8(9)4-6-11;/h8-9H,2-7H2,1H3;1H
InChIKeyUJQJBOUOAZLHFE-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride (CID 17141162) is 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride is CCOC(=O)OC1CN2CCC1CC2.Cl.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride?
The InChIKey is UJQJBOUOAZLHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c1-2-13-10(12)14-9-7-11-5-3-8(9)4-6-11;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride?
1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride is sourced from PubChem (CID 17141162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).