1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone

C11H17NO — CID 22463290

IUPAC1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone
SMILESCC(=O)C1=CC2CCCC(C1)N2C
InChIInChI=1S/C11H17NO/c1-8(13)9-6-10-4-3-5-11(7-9)12(10)2/h6,10-11H,3-5,7H2,1-2H3
InChIKeyPAEJVIJIKOQBHV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.76
Rot. Bonds1

About 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone

1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone (PubChem CID 22463290) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone
PubChem CID22463290
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone
SMILESCC(=O)C1=CC2CCCC(C1)N2C
InChIInChI=1S/C11H17NO/c1-8(13)9-6-10-4-3-5-11(7-9)12(10)2/h6,10-11H,3-5,7H2,1-2H3
InChIKeyPAEJVIJIKOQBHV-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-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-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone?
The IUPAC name of 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone (CID 22463290) is 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone is CC(=O)C1=CC2CCCC(C1)N2C.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone?
The InChIKey is PAEJVIJIKOQBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(13)9-6-10-4-3-5-11(7-9)12(10)2/h6,10-11H,3-5,7H2,1-2H3.
What are the key properties of 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone?
1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)ethanone is sourced from PubChem (CID 22463290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).