10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene

C16H13N — CID 54026557

IUPAC10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene
SMILESc1ccc2c(c1)cc[nH]ccc1ccccc12
InChIInChI=1S/C16H13N/c1-3-7-15-13(5-1)9-11-17-12-10-14-6-2-4-8-16(14)15/h1-12,17H/b11-9-,12-10-
InChIKeyLCOWJZPBRQNZKB-HWAYABPNSA-N
MW219.29 g/mol
LogP4.45
Rot. Bonds

About 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene

10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene (PubChem CID 54026557) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene
PubChem CID54026557
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene
SMILESc1ccc2c(c1)cc[nH]ccc1ccccc12
InChIInChI=1S/C16H13N/c1-3-7-15-13(5-1)9-11-17-12-10-14-6-2-4-8-16(14)15/h1-12,17H/b11-9-,12-10-
InChIKeyLCOWJZPBRQNZKB-HWAYABPNSA-N
XLogP4.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene?
The IUPAC name of 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene (CID 54026557) is 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene is c1ccc2c(c1)cc[nH]ccc1ccccc12.
What is the InChIKey of 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene?
The InChIKey is LCOWJZPBRQNZKB-HWAYABPNSA-N. The full InChI is InChI=1S/C16H13N/c1-3-7-15-13(5-1)9-11-17-12-10-14-6-2-4-8-16(14)15/h1-12,17H/b11-9-,12-10-.
What are the key properties of 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene?
10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene has a molecular weight of 219.29 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 54026557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).