3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene

C10H13NSe2 — CID 101482918

IUPAC3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene
SMILESc1cc2nc(c1)C[Se]CCC[Se]C2
InChIInChI=1S/C10H13NSe2/c1-3-9-7-12-5-2-6-13-8-10(4-1)11-9/h1,3-4H,2,5-8H2
InChIKeySFOXCQPEKFLVAU-UHFFFAOYSA-N
MW305.14 g/mol
LogP1.73
Rot. Bonds

About 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene

3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene (PubChem CID 101482918) has the molecular formula C10H13NSe2 and a molecular weight of 305.14 g/mol. Its IUPAC name is 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene
PubChem CID101482918
Molecular FormulaC10H13NSe2
Molecular Weight305.14 g/mol
Exact Mass306.94
IUPAC Name3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene
SMILESc1cc2nc(c1)C[Se]CCC[Se]C2
InChIInChI=1S/C10H13NSe2/c1-3-9-7-12-5-2-6-13-8-10(4-1)11-9/h1,3-4H,2,5-8H2
InChIKeySFOXCQPEKFLVAU-UHFFFAOYSA-N
XLogP1.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene?
The IUPAC name of 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene (CID 101482918) is 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene.
What is the SMILES notation for 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene?
The canonical SMILES for 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene is c1cc2nc(c1)C[Se]CCC[Se]C2.
What is the InChIKey of 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene?
The InChIKey is SFOXCQPEKFLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NSe2/c1-3-9-7-12-5-2-6-13-8-10(4-1)11-9/h1,3-4H,2,5-8H2.
What are the key properties of 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene?
3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene has a molecular weight of 305.14 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene is sourced from PubChem (CID 101482918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).