1-azabicyclo[3.2.2]nonan-4-yl acetate

C10H17NO2 — CID 118254768

IUPAC1-azabicyclo[3.2.2]nonan-4-yl acetate
SMILESCC(=O)OC1CCN2CCC1CC2
InChIInChI=1S/C10H17NO2/c1-8(12)13-10-4-7-11-5-2-9(10)3-6-11/h9-10H,2-7H2,1H3
InChIKeyPYMORRSSDMTHBM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 1-azabicyclo[3.2.2]nonan-4-yl acetate

1-azabicyclo[3.2.2]nonan-4-yl acetate (PubChem CID 118254768) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonan-4-yl acetate.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonan-4-yl acetate
PubChem CID118254768
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-azabicyclo[3.2.2]nonan-4-yl acetate
SMILESCC(=O)OC1CCN2CCC1CC2
InChIInChI=1S/C10H17NO2/c1-8(12)13-10-4-7-11-5-2-9(10)3-6-11/h9-10H,2-7H2,1H3
InChIKeyPYMORRSSDMTHBM-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl acetate?
The IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl acetate (CID 118254768) is 1-azabicyclo[3.2.2]nonan-4-yl acetate.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonan-4-yl acetate?
The canonical SMILES for 1-azabicyclo[3.2.2]nonan-4-yl acetate is CC(=O)OC1CCN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonan-4-yl acetate?
The InChIKey is PYMORRSSDMTHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)13-10-4-7-11-5-2-9(10)3-6-11/h9-10H,2-7H2,1H3.
What are the key properties of 1-azabicyclo[3.2.2]nonan-4-yl acetate?
1-azabicyclo[3.2.2]nonan-4-yl acetate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonan-4-yl acetate is sourced from PubChem (CID 118254768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).