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

C9H15NO2 — CID 19848698

IUPAC1-azabicyclo[3.2.1]octan-6-yl acetate
SMILESCC(=O)OC1CN2CCCC1C2
InChIInChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-3-8(9)5-10/h8-9H,2-6H2,1H3
InChIKeyFXOLMUFKTKEVOG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

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

1-azabicyclo[3.2.1]octan-6-yl acetate (PubChem CID 19848698) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-yl acetate.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-yl acetate
PubChem CID19848698
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-azabicyclo[3.2.1]octan-6-yl acetate
SMILESCC(=O)OC1CN2CCCC1C2
InChIInChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-3-8(9)5-10/h8-9H,2-6H2,1H3
InChIKeyFXOLMUFKTKEVOG-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.64
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?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl acetate (CID 19848698) is 1-azabicyclo[3.2.1]octan-6-yl acetate.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-yl acetate?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-yl acetate is CC(=O)OC1CN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-yl acetate?
The InChIKey is FXOLMUFKTKEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-3-8(9)5-10/h8-9H,2-6H2,1H3.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-yl acetate?
1-azabicyclo[3.2.1]octan-6-yl acetate has a molecular weight of 169.22 g/mol, XLogP of 0.64, 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 is sourced from PubChem (CID 19848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).