2-phenylselanylacetamide

C8H9NOSe — CID 12557564

IUPAC2-phenylselanylacetamide
SMILESNC(=O)C[Se]c1ccccc1
InChIInChI=1S/C8H9NOSe/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyAUGSDUBBVSCHIS-UHFFFAOYSA-N
MW214.13 g/mol
LogP-0.08
Rot. Bonds3

About 2-phenylselanylacetamide

2-phenylselanylacetamide (PubChem CID 12557564) has the molecular formula C8H9NOSe and a molecular weight of 214.13 g/mol. Its IUPAC name is 2-phenylselanylacetamide.

Molecular Properties

Compound Name2-phenylselanylacetamide
PubChem CID12557564
Molecular FormulaC8H9NOSe
Molecular Weight214.13 g/mol
Exact Mass214.98
IUPAC Name2-phenylselanylacetamide
SMILESNC(=O)C[Se]c1ccccc1
InChIInChI=1S/C8H9NOSe/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyAUGSDUBBVSCHIS-UHFFFAOYSA-N
XLogP-0.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-0.08
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 2-phenylselanylacetamide?
The IUPAC name of 2-phenylselanylacetamide (CID 12557564) is 2-phenylselanylacetamide.
What is the SMILES notation for 2-phenylselanylacetamide?
The canonical SMILES for 2-phenylselanylacetamide is NC(=O)C[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylacetamide?
The InChIKey is AUGSDUBBVSCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOSe/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10).
What are the key properties of 2-phenylselanylacetamide?
2-phenylselanylacetamide has a molecular weight of 214.13 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylacetamide is sourced from PubChem (CID 12557564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).