4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene

C14H13N — CID 18187422

IUPAC4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
SMILESC1=CC2CC=c3ccccc3=CC2N=C1
InChIInChI=1S/C14H13N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10,12,14H,8H2
InChIKeyPZRIQVGIYBBULR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.28
Rot. Bonds

About 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene

4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene (PubChem CID 18187422) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
PubChem CID18187422
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
SMILESC1=CC2CC=c3ccccc3=CC2N=C1
InChIInChI=1S/C14H13N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10,12,14H,8H2
InChIKeyPZRIQVGIYBBULR-UHFFFAOYSA-N
XLogP1.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.28
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-1,4,6,10,12,14-hexaene?
The IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene (CID 18187422) is 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene.
What is the SMILES notation for 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene?
The canonical SMILES for 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene is C1=CC2CC=c3ccccc3=CC2N=C1.
What is the InChIKey of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene?
The InChIKey is PZRIQVGIYBBULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-5-13-10-14-12(6-3-9-15-14)8-7-11(13)4-1/h1-7,9-10,12,14H,8H2.
What are the key properties of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene?
4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene has a molecular weight of 195.27 g/mol, XLogP of 1.28, 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-1,4,6,10,12,14-hexaene is sourced from PubChem (CID 18187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).