1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride

C9H16ClNO2 — CID 19848720

IUPAC1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride
SMILESCC(=O)OC1CN2CCCC1C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-3-8(9)5-10;/h8-9H,2-6H2,1H3;1H
InChIKeyMIYFDEMAVFYKQO-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.07
Rot. Bonds1

About 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride

1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride (PubChem CID 19848720) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride
PubChem CID19848720
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride
SMILESCC(=O)OC1CN2CCCC1C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-3-8(9)5-10;/h8-9H,2-6H2,1H3;1H
InChIKeyMIYFDEMAVFYKQO-UHFFFAOYSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride (CID 19848720) is 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride is CC(=O)OC1CN2CCCC1C2.Cl.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride?
The InChIKey is MIYFDEMAVFYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-3-8(9)5-10;/h8-9H,2-6H2,1H3;1H.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride?
1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride is sourced from PubChem (CID 19848720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).