2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

C14H11N — CID 88715149

IUPAC2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CC=C2C=CC=NC23C=CC=CC3=C1
InChIInChI=1S/C14H11N/c1-2-7-13-9-5-11-15-14(13)10-4-3-8-12(14)6-1/h1-11H
InChIKeyDGJYVJCEOUNNCD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.91
Rot. Bonds

About 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (PubChem CID 88715149) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
PubChem CID88715149
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CC=C2C=CC=NC23C=CC=CC3=C1
InChIInChI=1S/C14H11N/c1-2-7-13-9-5-11-15-14(13)10-4-3-8-12(14)6-1/h1-11H
InChIKeyDGJYVJCEOUNNCD-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (CID 88715149) is 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is C1=CC=C2C=CC=NC23C=CC=CC3=C1.
What is the InChIKey of 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is DGJYVJCEOUNNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-7-13-9-5-11-15-14(13)10-4-3-8-12(14)6-1/h1-11H.
What are the key properties of 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 193.25 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 88715149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).