7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone

C11H8N2Se — CID 15461162

IUPAC7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone
SMILES[Se]=c1n2ccccc2c2ccccn12
InChIInChI=1S/C11H8N2Se/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H
InChIKeyFGKXVHHXJZLGJW-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.89
Rot. Bonds

About 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone

7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone (PubChem CID 15461162) has the molecular formula C11H8N2Se and a molecular weight of 247.16 g/mol. Its IUPAC name is 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone.

Molecular Properties

Compound Name7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone
PubChem CID15461162
Molecular FormulaC11H8N2Se
Molecular Weight247.16 g/mol
Exact Mass247.99
IUPAC Name7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone
SMILES[Se]=c1n2ccccc2c2ccccn12
InChIInChI=1S/C11H8N2Se/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H
InChIKeyFGKXVHHXJZLGJW-UHFFFAOYSA-N
XLogP1.89
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone?
The IUPAC name of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone (CID 15461162) is 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone.
What is the SMILES notation for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone?
The canonical SMILES for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone is [Se]=c1n2ccccc2c2ccccn12.
What is the InChIKey of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone?
The InChIKey is FGKXVHHXJZLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2Se/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H.
What are the key properties of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone?
7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone has a molecular weight of 247.16 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene-8-selone is sourced from PubChem (CID 15461162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).