2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene

C10H11N — CID 57084560

IUPAC2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
SMILESC1=CC2CC(=C1)C=CC/C=N\2
InChIInChI=1S/C10H11N/c1-2-7-11-10-6-3-5-9(4-1)8-10/h1,3-7,10H,2,8H2/b4-1?,11-7-
InChIKeyQPTVACUBJRBWEU-KCASKHMTSA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds

About 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene

2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene (PubChem CID 57084560) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene.

Molecular Properties

Compound Name2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
PubChem CID57084560
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
SMILESC1=CC2CC(=C1)C=CC/C=N\2
InChIInChI=1S/C10H11N/c1-2-7-11-10-6-3-5-9(4-1)8-10/h1,3-7,10H,2,8H2/b4-1?,11-7-
InChIKeyQPTVACUBJRBWEU-KCASKHMTSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene?
The IUPAC name of 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene (CID 57084560) is 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene.
What is the SMILES notation for 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene?
The canonical SMILES for 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene is C1=CC2CC(=C1)C=CC/C=N\2.
What is the InChIKey of 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene?
The InChIKey is QPTVACUBJRBWEU-KCASKHMTSA-N. The full InChI is InChI=1S/C10H11N/c1-2-7-11-10-6-3-5-9(4-1)8-10/h1,3-7,10H,2,8H2/b4-1?,11-7-.
What are the key properties of 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene?
2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene has a molecular weight of 145.20 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 2-azabicyclo[5.3.1]undeca-2,5,7,9-tetraene is sourced from PubChem (CID 57084560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).