4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene

C10H11N — CID 14025669

IUPAC4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
SMILESC1=CC2CCC1c1c[nH]cc12
InChIInChI=1S/C10H11N/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h1-2,5-8,11H,3-4H2
InChIKeyBGBOHYIXUAXBRP-UHFFFAOYSA-N
MW145.21 g/mol
LogP2.55
Rot. Bonds

About 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene

4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene (PubChem CID 14025669) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene.

Molecular Properties

Compound Name4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
PubChem CID14025669
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
SMILESC1=CC2CCC1c1c[nH]cc12
InChIInChI=1S/C10H11N/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h1-2,5-8,11H,3-4H2
InChIKeyBGBOHYIXUAXBRP-UHFFFAOYSA-N
XLogP2.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The IUPAC name of 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene (CID 14025669) is 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene.
What is the SMILES notation for 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The canonical SMILES for 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene is C1=CC2CCC1c1c[nH]cc12.
What is the InChIKey of 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The InChIKey is BGBOHYIXUAXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h1-2,5-8,11H,3-4H2.
What are the key properties of 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene?
4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene has a molecular weight of 145.21 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene is sourced from PubChem (CID 14025669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).