11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C15H9N — CID 9155

IUPAC11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1cnc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C15H9N/c1-4-10-5-2-7-13-14(10)11(6-1)12-8-3-9-16-15(12)13/h1-9H
InChIKeyXJWJTIKXJYAHBE-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.88
Rot. Bonds

About 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 9155) has the molecular formula C15H9N and a molecular weight of 203.24 g/mol. Its IUPAC name is 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
PubChem CID9155
Molecular FormulaC15H9N
Molecular Weight203.24 g/mol
Exact Mass203.07
IUPAC Name11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1cnc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C15H9N/c1-4-10-5-2-7-13-14(10)11(6-1)12-8-3-9-16-15(12)13/h1-9H
InChIKeyXJWJTIKXJYAHBE-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 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The IUPAC name of 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 9155) is 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.
What is the SMILES notation for 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The canonical SMILES for 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1cnc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The InChIKey is XJWJTIKXJYAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N/c1-4-10-5-2-7-13-14(10)11(6-1)12-8-3-9-16-15(12)13/h1-9H.
What are the key properties of 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-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 11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 9155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).