5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

C11H11N — CID 143822424

IUPAC5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESCC1=CC=NC23C=CC=CC12C3
InChIInChI=1S/C11H11N/c1-9-4-7-12-11-6-3-2-5-10(9,11)8-11/h2-7H,8H2,1H3
InChIKeyFHVRYDXFUYAEIM-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.27
Rot. Bonds

About 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (PubChem CID 143822424) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
PubChem CID143822424
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESCC1=CC=NC23C=CC=CC12C3
InChIInChI=1S/C11H11N/c1-9-4-7-12-11-6-3-2-5-10(9,11)8-11/h2-7H,8H2,1H3
InChIKeyFHVRYDXFUYAEIM-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-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 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The IUPAC name of 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (CID 143822424) is 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.
What is the SMILES notation for 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The canonical SMILES for 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is CC1=CC=NC23C=CC=CC12C3.
What is the InChIKey of 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The InChIKey is FHVRYDXFUYAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-4-7-12-11-6-3-2-5-10(9,11)8-11/h2-7H,8H2,1H3.
What are the key properties of 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene has a molecular weight of 157.22 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is sourced from PubChem (CID 143822424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).