(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate

C12H19NO4 — CID 565072

IUPAC(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate
SMILESCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C
InChIInChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3
InChIKeyZBNGGJNWFWYOJK-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.72
Rot. Bonds2

About (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate

(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate (PubChem CID 565072) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate
PubChem CID565072
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate
SMILESCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C
InChIInChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3
InChIKeyZBNGGJNWFWYOJK-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) Acetate
CID 103008
3-Acetoxy-6-hydroxytropane
CID 565059
3-Hydroxy-6-acetoxytropane
CID 14413733
6-Acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane
CID 10035281
Propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-6-yl ester
CID 44318817
3-Hydroxy-6-(2-methylbutyryloxy)tropane
CID 91705071
3-Acetyltropine
CID 10559369
(8-Methyl-8-azabicyclo[3.2.1]octan-6-yl) butanoate
CID 44318768
3-Hydroxy-6-isobutyryloxytropane
CID 91750084
Atropine Impurity 39
CID 11535759
Acetyltropeine hydrochloride
CID 212840
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate
CID 44403119

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate?
The IUPAC name of (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate (CID 565072) is (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate.
What is the SMILES notation for (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate?
The canonical SMILES for (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate is CC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C.
What is the InChIKey of (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate?
The InChIKey is ZBNGGJNWFWYOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3.
What are the key properties of (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate?
(6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate has a molecular weight of 241.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate is sourced from PubChem (CID 565072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).