1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone

C10H15NO — CID 67960761

IUPAC1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone
SMILESCC(=O)C1=CC2CNCC(C1)C2
InChIInChI=1S/C10H15NO/c1-7(12)10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-6H2,1H3
InChIKeyQZTOWYDBSSNAPL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.13
Rot. Bonds1

About 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone

1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone (PubChem CID 67960761) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone
PubChem CID67960761
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone
SMILESCC(=O)C1=CC2CNCC(C1)C2
InChIInChI=1S/C10H15NO/c1-7(12)10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-6H2,1H3
InChIKeyQZTOWYDBSSNAPL-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-azabicyclo[3.3.1]non-6-en-7-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-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone?
The IUPAC name of 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone (CID 67960761) is 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone.
What is the SMILES notation for 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone?
The canonical SMILES for 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone is CC(=O)C1=CC2CNCC(C1)C2.
What is the InChIKey of 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone?
The InChIKey is QZTOWYDBSSNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-6H2,1H3.
What are the key properties of 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone?
1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.3.1]non-6-en-7-yl)ethanone is sourced from PubChem (CID 67960761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).