9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide

C13H9N3O2 — CID 18628380

IUPAC9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c3ccc(cn3)c12
InChIInChI=1S/C13H9N3O2/c14-12(17)7-2-3-8(13(15)18)11-9-4-1-6(5-16-9)10(7)11/h1-5H,(H2,14,17)(H2,15,18)
InChIKeyQJJWUUJWHMOLDV-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.02
Rot. Bonds2

About 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide

9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide (PubChem CID 18628380) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide.

Molecular Properties

Compound Name9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide
PubChem CID18628380
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c3ccc(cn3)c12
InChIInChI=1S/C13H9N3O2/c14-12(17)7-2-3-8(13(15)18)11-9-4-1-6(5-16-9)10(7)11/h1-5H,(H2,14,17)(H2,15,18)
InChIKeyQJJWUUJWHMOLDV-UHFFFAOYSA-N
XLogP1.02
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide?
The IUPAC name of 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide (CID 18628380) is 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide.
What is the SMILES notation for 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide?
The canonical SMILES for 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide is NC(=O)c1ccc(C(N)=O)c2c3ccc(cn3)c12.
What is the InChIKey of 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide?
The InChIKey is QJJWUUJWHMOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-12(17)7-2-3-8(13(15)18)11-9-4-1-6(5-16-9)10(7)11/h1-5H,(H2,14,17)(H2,15,18).
What are the key properties of 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide?
9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide has a molecular weight of 239.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide is sourced from PubChem (CID 18628380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).