2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one

C9H9NO2Se — CID 12060981

IUPAC2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCO
InChIInChI=1S/C9H9NO2Se/c11-6-5-10-9(12)7-3-1-2-4-8(7)13-10/h1-4,11H,5-6H2
InChIKeyINJSPYUOTZNFSF-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.05
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one

2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one (PubChem CID 12060981) has the molecular formula C9H9NO2Se and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one
PubChem CID12060981
Molecular FormulaC9H9NO2Se
Molecular Weight242.14 g/mol
Exact Mass242.98
IUPAC Name2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCO
InChIInChI=1S/C9H9NO2Se/c11-6-5-10-9(12)7-3-1-2-4-8(7)13-10/h1-4,11H,5-6H2
InChIKeyINJSPYUOTZNFSF-UHFFFAOYSA-N
XLogP0.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one (CID 12060981) is 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one?
The InChIKey is INJSPYUOTZNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2Se/c11-6-5-10-9(12)7-3-1-2-4-8(7)13-10/h1-4,11H,5-6H2.
What are the key properties of 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one?
2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one has a molecular weight of 242.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 12060981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).