8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione

C14H10N2O2 — CID 66857400

IUPAC8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
SMILESO=C1NNc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C14H10N2O2/c17-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-16-14(13)18/h1-8,15H,(H,16,18)
InChIKeyZSCVKNOABUKOPL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.99
Rot. Bonds

About 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione

8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione (PubChem CID 66857400) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione.

Molecular Properties

Compound Name8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
PubChem CID66857400
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
SMILESO=C1NNc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C14H10N2O2/c17-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-16-14(13)18/h1-8,15H,(H,16,18)
InChIKeyZSCVKNOABUKOPL-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The IUPAC name of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione (CID 66857400) is 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione.
What is the SMILES notation for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The canonical SMILES for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione is O=C1NNc2ccccc2-c2ccccc2C1=O.
What is the InChIKey of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The InChIKey is ZSCVKNOABUKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-16-14(13)18/h1-8,15H,(H,16,18).
What are the key properties of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione has a molecular weight of 238.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione is sourced from PubChem (CID 66857400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).