11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene

C11H9N — CID 56609890

IUPAC11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene
SMILESC1=NC2=c3ccccc3=CC1C2
InChIInChI=1S/C11H9N/c1-2-4-10-9(3-1)5-8-6-11(10)12-7-8/h1-5,7-8H,6H2
InChIKeyMYJDELDQOXADHG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.68
Rot. Bonds

About 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene

11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene (PubChem CID 56609890) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene.

Molecular Properties

Compound Name11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene
PubChem CID56609890
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene
SMILESC1=NC2=c3ccccc3=CC1C2
InChIInChI=1S/C11H9N/c1-2-4-10-9(3-1)5-8-6-11(10)12-7-8/h1-5,7-8H,6H2
InChIKeyMYJDELDQOXADHG-UHFFFAOYSA-N
XLogP0.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene?
The IUPAC name of 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene (CID 56609890) is 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene.
What is the SMILES notation for 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene?
The canonical SMILES for 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene is C1=NC2=c3ccccc3=CC1C2.
What is the InChIKey of 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene?
The InChIKey is MYJDELDQOXADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N/c1-2-4-10-9(3-1)5-8-6-11(10)12-7-8/h1-5,7-8H,6H2.
What are the key properties of 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene?
11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene has a molecular weight of 155.20 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[7.2.1.02,7]dodeca-1,3,5,7,10-pentaene is sourced from PubChem (CID 56609890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).