1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone

C9H15NO — CID 21357714

IUPAC1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
SMILESCC(=O)N1CC2CCC1CC2
InChIInChI=1S/C9H15NO/c1-7(11)10-6-8-2-4-9(10)5-3-8/h8-9H,2-6H2,1H3
InChIKeyRRDVGZSBEKOCAP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.41
Rot. Bonds

About 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone

1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone (PubChem CID 21357714) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
PubChem CID21357714
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
SMILESCC(=O)N1CC2CCC1CC2
InChIInChI=1S/C9H15NO/c1-7(11)10-6-8-2-4-9(10)5-3-8/h8-9H,2-6H2,1H3
InChIKeyRRDVGZSBEKOCAP-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone?
The IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone (CID 21357714) is 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone.
What is the SMILES notation for 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone?
The canonical SMILES for 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone is CC(=O)N1CC2CCC1CC2.
What is the InChIKey of 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone?
The InChIKey is RRDVGZSBEKOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)10-6-8-2-4-9(10)5-3-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone?
1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone has a molecular weight of 153.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone is sourced from PubChem (CID 21357714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).