Se-phenyl N,N-diethylcarbamoselenoate

C11H15NOSe — CID 102233224

IUPACSe-phenyl N,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se]c1ccccc1
InChIInChI=1S/C11H15NOSe/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeySYIJVQURLKOMKC-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.48
Rot. Bonds4

About Se-phenyl N,N-diethylcarbamoselenoate

Se-phenyl N,N-diethylcarbamoselenoate (PubChem CID 102233224) has the molecular formula C11H15NOSe and a molecular weight of 256.21 g/mol. Its IUPAC name is Se-phenyl N,N-diethylcarbamoselenoate.

Molecular Properties

Compound NameSe-phenyl N,N-diethylcarbamoselenoate
PubChem CID102233224
Molecular FormulaC11H15NOSe
Molecular Weight256.21 g/mol
Exact Mass257.03
IUPAC NameSe-phenyl N,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se]c1ccccc1
InChIInChI=1S/C11H15NOSe/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeySYIJVQURLKOMKC-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.48
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 Se-phenyl N,N-diethylcarbamoselenoate?
The IUPAC name of Se-phenyl N,N-diethylcarbamoselenoate (CID 102233224) is Se-phenyl N,N-diethylcarbamoselenoate.
What is the SMILES notation for Se-phenyl N,N-diethylcarbamoselenoate?
The canonical SMILES for Se-phenyl N,N-diethylcarbamoselenoate is CCN(CC)C(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl N,N-diethylcarbamoselenoate?
The InChIKey is SYIJVQURLKOMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOSe/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of Se-phenyl N,N-diethylcarbamoselenoate?
Se-phenyl N,N-diethylcarbamoselenoate has a molecular weight of 256.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl N,N-diethylcarbamoselenoate is sourced from PubChem (CID 102233224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).