8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene

C11H11N — CID 91592308

IUPAC8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene
SMILESC1=CN2C=CC=C3CCC(=C1)C32
InChIInChI=1S/C11H11N/c1-3-9-5-6-10-4-2-8-12(7-1)11(9)10/h1-4,7-8,11H,5-6H2
InChIKeyRQGPOKQLWGFERT-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.36
Rot. Bonds

About 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene

8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene (PubChem CID 91592308) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene.

Molecular Properties

Compound Name8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene
PubChem CID91592308
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene
SMILESC1=CN2C=CC=C3CCC(=C1)C32
InChIInChI=1S/C11H11N/c1-3-9-5-6-10-4-2-8-12(7-1)11(9)10/h1-4,7-8,11H,5-6H2
InChIKeyRQGPOKQLWGFERT-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene 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 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene?
The IUPAC name of 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene (CID 91592308) is 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene.
What is the SMILES notation for 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene?
The canonical SMILES for 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene is C1=CN2C=CC=C3CCC(=C1)C32.
What is the InChIKey of 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene?
The InChIKey is RQGPOKQLWGFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-9-5-6-10-4-2-8-12(7-1)11(9)10/h1-4,7-8,11H,5-6H2.
What are the key properties of 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene?
8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene has a molecular weight of 157.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,9-tetraene is sourced from PubChem (CID 91592308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).