methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate

C10H9NO3Se — CID 25112139

IUPACmethyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate
SMILESCOC(=O)Cn1[se]c2ccccc2c1=O
InChIInChI=1S/C10H9NO3Se/c1-14-9(12)6-11-10(13)7-4-2-3-5-8(7)15-11/h2-5H,6H2,1H3
InChIKeyHUMCGFSHMHWGPJ-UHFFFAOYSA-N
MW270.15 g/mol
LogP0.23
Rot. Bonds2

About methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate

methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate (PubChem CID 25112139) has the molecular formula C10H9NO3Se and a molecular weight of 270.15 g/mol. Its IUPAC name is methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate
PubChem CID25112139
Molecular FormulaC10H9NO3Se
Molecular Weight270.15 g/mol
Exact Mass270.97
IUPAC Namemethyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate
SMILESCOC(=O)Cn1[se]c2ccccc2c1=O
InChIInChI=1S/C10H9NO3Se/c1-14-9(12)6-11-10(13)7-4-2-3-5-8(7)15-11/h2-5H,6H2,1H3
InChIKeyHUMCGFSHMHWGPJ-UHFFFAOYSA-N
XLogP0.23
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate (CID 25112139) is methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate is COC(=O)Cn1[se]c2ccccc2c1=O.
What is the InChIKey of methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate?
The InChIKey is HUMCGFSHMHWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3Se/c1-14-9(12)6-11-10(13)7-4-2-3-5-8(7)15-11/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate?
methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate has a molecular weight of 270.15 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1,2-benzoselenazol-2-yl)acetate is sourced from PubChem (CID 25112139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).