selanyl-2-azabicyclo[2.2.1]heptane

C6H10NSe — CID 171118294

IUPAC—
SMILES[Se]C12CCC(CN1)C2
InChIInChI=1S/C6H10NSe/c8-6-2-1-5(3-6)4-7-6/h5,7H,1-4H2
InChIKeyIZBNCENIDSKTAM-UHFFFAOYSA-N
MW175.11 g/mol
LogP0.25
Rot. Bonds

About selanyl-2-azabicyclo[2.2.1]heptane

selanyl-2-azabicyclo[2.2.1]heptane (PubChem CID 171118294) has the molecular formula C6H10NSe and a molecular weight of 175.11 g/mol.

Molecular Properties

Compound Nameselanyl-2-azabicyclo[2.2.1]heptane
PubChem CID171118294
Molecular FormulaC6H10NSe
Molecular Weight175.11 g/mol
Exact Mass176.00
IUPAC Name—
SMILES[Se]C12CCC(CN1)C2
InChIInChI=1S/C6H10NSe/c8-6-2-1-5(3-6)4-7-6/h5,7H,1-4H2
InChIKeyIZBNCENIDSKTAM-UHFFFAOYSA-N
XLogP0.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
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 selanyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of selanyl-2-azabicyclo[2.2.1]heptane (CID 171118294) is not available.
What is the SMILES notation for selanyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for selanyl-2-azabicyclo[2.2.1]heptane is [Se]C12CCC(CN1)C2.
What is the InChIKey of selanyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is IZBNCENIDSKTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NSe/c8-6-2-1-5(3-6)4-7-6/h5,7H,1-4H2.
What are the key properties of selanyl-2-azabicyclo[2.2.1]heptane?
selanyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 175.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for selanyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 171118294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).