7-selenabicyclo[4.1.0]hepta-1,3,5-triene

C6H4Se — CID 19006453

IUPAC7-selenabicyclo[4.1.0]hepta-1,3,5-triene
SMILESc1ccc2c(c1)[Se]2
InChIInChI=1S/C6H4Se/c1-2-4-6-5(3-1)7-6/h1-4H
InChIKeyXFVCIUGEAOQLBW-UHFFFAOYSA-N
MW155.06 g/mol
LogP-0.34
Rot. Bonds

About 7-selenabicyclo[4.1.0]hepta-1,3,5-triene

7-selenabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 19006453) has the molecular formula C6H4Se and a molecular weight of 155.06 g/mol. Its IUPAC name is 7-selenabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name7-selenabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID19006453
Molecular FormulaC6H4Se
Molecular Weight155.06 g/mol
Exact Mass155.95
IUPAC Name7-selenabicyclo[4.1.0]hepta-1,3,5-triene
SMILESc1ccc2c(c1)[Se]2
InChIInChI=1S/C6H4Se/c1-2-4-6-5(3-1)7-6/h1-4H
InChIKeyXFVCIUGEAOQLBW-UHFFFAOYSA-N
XLogP-0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.06
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-selenabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 7-selenabicyclo[4.1.0]hepta-1,3,5-triene (CID 19006453) is 7-selenabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 7-selenabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 7-selenabicyclo[4.1.0]hepta-1,3,5-triene is c1ccc2c(c1)[Se]2.
What is the InChIKey of 7-selenabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is XFVCIUGEAOQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Se/c1-2-4-6-5(3-1)7-6/h1-4H.
What are the key properties of 7-selenabicyclo[4.1.0]hepta-1,3,5-triene?
7-selenabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 155.06 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-selenabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 19006453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).