(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate

C11H17NO2 — CID 564938

IUPAC(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate
SMILESCC(=O)OC1CCC2C=CCC1N2C
InChIInChI=1S/C11H17NO2/c1-8(13)14-11-7-6-9-4-3-5-10(11)12(9)2/h3-4,9-11H,5-7H2,1-2H3
InChIKeyBATKZYTXHLFUQV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds1

About (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate

(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate (PubChem CID 564938) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate
PubChem CID564938
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate
SMILESCC(=O)OC1CCC2C=CCC1N2C
InChIInChI=1S/C11H17NO2/c1-8(13)14-11-7-6-9-4-3-5-10(11)12(9)2/h3-4,9-11H,5-7H2,1-2H3
InChIKeyBATKZYTXHLFUQV-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate with MolForge

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Launch Full Analysis

Related Compounds

Microgrewiapine A 3-Acetate
CID 71578973
9-Azabicyclo[3.3.1]non-2-ene-9-carboxylic acid, 6-(acetyloxy)-, ethyl ester, endo-
CID 592333
(6-Morpholin-4-ylcyclohexen-1-yl) acetate
CID 121008291
[2-(Diethylamino)cyclohex-3-en-1-yl] acetate
CID 10560450
methyl (1R,5S,8S)-8-acetyloxy-2-methoxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 10563892
[(1R,2R)-2-(diethylamino)cyclohex-3-en-1-yl] acetate
CID 12732254
[(1S,2R,4S,5R)-4-acetyloxy-3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-en-2-yl] acetate
CID 14430947
methyl (1R,5R,6R)-6-acetyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 15345638
ethyl (1R,5R,6R)-6-acetyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 22217093
1-Cyclohex-2-en-1-yl-3-ethoxypiperidine
CID 56794048
Methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate
CID 71861821
Methyl 2-[cyclohex-2-en-1-yl(oxan-4-yl)amino]acetate
CID 71925899

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate (CID 564938) is (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate is CC(=O)OC1CCC2C=CCC1N2C.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate?
The InChIKey is BATKZYTXHLFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(13)14-11-7-6-9-4-3-5-10(11)12(9)2/h3-4,9-11H,5-7H2,1-2H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate?
(9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate has a molecular weight of 195.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]non-6-en-2-yl) acetate is sourced from PubChem (CID 564938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).