Se-benzyl N-cyclohexylcarbamoselenoate

C14H19NOSe — CID 10924425

IUPACSe-benzyl N-cyclohexylcarbamoselenoate
SMILESO=C(NC1CCCCC1)[Se]Cc1ccccc1
InChIInChI=1S/C14H19NOSe/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyRWFLYSZTBVYXLW-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.93
Rot. Bonds4

About Se-benzyl N-cyclohexylcarbamoselenoate

Se-benzyl N-cyclohexylcarbamoselenoate (PubChem CID 10924425) has the molecular formula C14H19NOSe and a molecular weight of 296.27 g/mol. Its IUPAC name is Se-benzyl N-cyclohexylcarbamoselenoate.

Molecular Properties

Compound NameSe-benzyl N-cyclohexylcarbamoselenoate
PubChem CID10924425
Molecular FormulaC14H19NOSe
Molecular Weight296.27 g/mol
Exact Mass297.06
IUPAC NameSe-benzyl N-cyclohexylcarbamoselenoate
SMILESO=C(NC1CCCCC1)[Se]Cc1ccccc1
InChIInChI=1S/C14H19NOSe/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyRWFLYSZTBVYXLW-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.93
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-benzyl N-cyclohexylcarbamoselenoate?
The IUPAC name of Se-benzyl N-cyclohexylcarbamoselenoate (CID 10924425) is Se-benzyl N-cyclohexylcarbamoselenoate.
What is the SMILES notation for Se-benzyl N-cyclohexylcarbamoselenoate?
The canonical SMILES for Se-benzyl N-cyclohexylcarbamoselenoate is O=C(NC1CCCCC1)[Se]Cc1ccccc1.
What is the InChIKey of Se-benzyl N-cyclohexylcarbamoselenoate?
The InChIKey is RWFLYSZTBVYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSe/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16).
What are the key properties of Se-benzyl N-cyclohexylcarbamoselenoate?
Se-benzyl N-cyclohexylcarbamoselenoate has a molecular weight of 296.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-benzyl N-cyclohexylcarbamoselenoate is sourced from PubChem (CID 10924425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).