1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one

C11H11NO — CID 12524226

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one
SMILESO=C1CCN2CCc3cccc1c32
InChIInChI=1S/C11H11NO/c13-10-5-7-12-6-4-8-2-1-3-9(10)11(8)12/h1-3H,4-7H2
InChIKeyTXDMSUWDMWGYML-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.64
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one

1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one (PubChem CID 12524226) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one
PubChem CID12524226
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one
SMILESO=C1CCN2CCc3cccc1c32
InChIInChI=1S/C11H11NO/c13-10-5-7-12-6-4-8-2-1-3-9(10)11(8)12/h1-3H,4-7H2
InChIKeyTXDMSUWDMWGYML-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-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-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one (CID 12524226) is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one is O=C1CCN2CCc3cccc1c32.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one?
The InChIKey is TXDMSUWDMWGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-10-5-7-12-6-4-8-2-1-3-9(10)11(8)12/h1-3H,4-7H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one?
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one has a molecular weight of 173.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one is sourced from PubChem (CID 12524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).