1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene

C11H11N — CID 53338920

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
SMILESC1=CN2CCc3cccc(c32)C1
InChIInChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-4,7H,5-6,8H2
InChIKeyNUOHRQXKJKPGMI-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.12
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene

1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene (PubChem CID 53338920) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
PubChem CID53338920
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
SMILESC1=CN2CCc3cccc(c32)C1
InChIInChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-4,7H,5-6,8H2
InChIKeyNUOHRQXKJKPGMI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-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 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene (CID 53338920) is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene is C1=CN2CCc3cccc(c32)C1.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene?
The InChIKey is NUOHRQXKJKPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1-4,7H,5-6,8H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene?
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene has a molecular weight of 157.22 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene is sourced from PubChem (CID 53338920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).