8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene

C10H11N — CID 130136162

IUPAC8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene
SMILESC1=CC2=C3NCCCC3C2=C1
InChIInChI=1S/C10H11N/c1-3-7-8(4-1)10-9(7)5-2-6-11-10/h1,3-4,9,11H,2,5-6H2
InChIKeyRSUCALWWJJJVKO-UHFFFAOYSA-N
MW145.21 g/mol
LogP1.75
Rot. Bonds

About 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene

8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene (PubChem CID 130136162) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene.

Molecular Properties

Compound Name8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene
PubChem CID130136162
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene
SMILESC1=CC2=C3NCCCC3C2=C1
InChIInChI=1S/C10H11N/c1-3-7-8(4-1)10-9(7)5-2-6-11-10/h1,3-4,9,11H,2,5-6H2
InChIKeyRSUCALWWJJJVKO-UHFFFAOYSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene?
The IUPAC name of 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene (CID 130136162) is 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene.
What is the SMILES notation for 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene?
The canonical SMILES for 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene is C1=CC2=C3NCCCC3C2=C1.
What is the InChIKey of 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene?
The InChIKey is RSUCALWWJJJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-3-7-8(4-1)10-9(7)5-2-6-11-10/h1,3-4,9,11H,2,5-6H2.
What are the key properties of 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene?
8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene has a molecular weight of 145.21 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene is sourced from PubChem (CID 130136162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).