2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C15H9N — CID 9157

IUPAC2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3ccnc-2c13
InChIInChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H
InChIKeyXQNXAFHTOWJFTR-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.88
Rot. Bonds

About 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 9157) has the molecular formula C15H9N and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID9157
Molecular FormulaC15H9N
Molecular Weight203.24 g/mol
Exact Mass203.07
IUPAC Name2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3ccnc-2c13
InChIInChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H
InChIKeyXQNXAFHTOWJFTR-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 9157) is 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc2c(c1)-c1cccc3ccnc-2c13.
What is the InChIKey of 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is XQNXAFHTOWJFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H.
What are the key properties of 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 203.24 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 9157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).