1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one

C11H17NO — CID 90627255

IUPAC1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C2C=CCC1CC2
InChIInChI=1S/C11H17NO/c1-8(2)11(13)12-9-4-3-5-10(12)7-6-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyUDODCSXIHCORIH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds1

About 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one

1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one (PubChem CID 90627255) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
PubChem CID90627255
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C2C=CCC1CC2
InChIInChI=1S/C11H17NO/c1-8(2)11(13)12-9-4-3-5-10(12)7-6-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyUDODCSXIHCORIH-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one 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-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one (CID 90627255) is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one is CC(C)C(=O)N1C2C=CCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one?
The InChIKey is UDODCSXIHCORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)11(13)12-9-4-3-5-10(12)7-6-9/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one?
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one is sourced from PubChem (CID 90627255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).