Se-phenyl N-cyclohexylcarbamoselenoate

C13H17NOSe — CID 138971611

IUPACSe-phenyl N-cyclohexylcarbamoselenoate
SMILESO=C(NC1CCCCC1)[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15)
InChIKeyNATHOZQOKLQMFJ-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.06
Rot. Bonds3

About Se-phenyl N-cyclohexylcarbamoselenoate

Se-phenyl N-cyclohexylcarbamoselenoate (PubChem CID 138971611) has the molecular formula C13H17NOSe and a molecular weight of 282.24 g/mol. Its IUPAC name is Se-phenyl N-cyclohexylcarbamoselenoate.

Molecular Properties

Compound NameSe-phenyl N-cyclohexylcarbamoselenoate
PubChem CID138971611
Molecular FormulaC13H17NOSe
Molecular Weight282.24 g/mol
Exact Mass283.05
IUPAC NameSe-phenyl N-cyclohexylcarbamoselenoate
SMILESO=C(NC1CCCCC1)[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15)
InChIKeyNATHOZQOKLQMFJ-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.06
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 Se-phenyl N-cyclohexylcarbamoselenoate?
The IUPAC name of Se-phenyl N-cyclohexylcarbamoselenoate (CID 138971611) is Se-phenyl N-cyclohexylcarbamoselenoate.
What is the SMILES notation for Se-phenyl N-cyclohexylcarbamoselenoate?
The canonical SMILES for Se-phenyl N-cyclohexylcarbamoselenoate is O=C(NC1CCCCC1)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl N-cyclohexylcarbamoselenoate?
The InChIKey is NATHOZQOKLQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSe/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15).
What are the key properties of Se-phenyl N-cyclohexylcarbamoselenoate?
Se-phenyl N-cyclohexylcarbamoselenoate has a molecular weight of 282.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl N-cyclohexylcarbamoselenoate is sourced from PubChem (CID 138971611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).