4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene

C14H11N — CID 54208249

IUPAC4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
SMILESC1=c2ccccc2=Cc2ncccc2C1
InChIInChI=1S/C14H11N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10H,8H2
InChIKeyPUBPOEZCQYLQHD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds

About 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene

4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene (PubChem CID 54208249) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene.

Molecular Properties

Compound Name4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
PubChem CID54208249
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
SMILESC1=c2ccccc2=Cc2ncccc2C1
InChIInChI=1S/C14H11N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10H,8H2
InChIKeyPUBPOEZCQYLQHD-UHFFFAOYSA-N
XLogP1.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene?
The IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene (CID 54208249) is 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene.
What is the SMILES notation for 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene?
The canonical SMILES for 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene is C1=c2ccccc2=Cc2ncccc2C1.
What is the InChIKey of 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene?
The InChIKey is PUBPOEZCQYLQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10H,8H2.
What are the key properties of 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene?
4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene has a molecular weight of 193.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene is sourced from PubChem (CID 54208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).