2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one

C13H16N2O2Se — CID 88598251

IUPAC2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCN1CCOCC1
InChIInChI=1S/C13H16N2O2Se/c16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-4H,5-10H2
InChIKeyLGLOPWIQZGBWRF-UHFFFAOYSA-N
MW311.24 g/mol
LogP0.39
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one

2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one (PubChem CID 88598251) has the molecular formula C13H16N2O2Se and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one
PubChem CID88598251
Molecular FormulaC13H16N2O2Se
Molecular Weight311.24 g/mol
Exact Mass312.04
IUPAC Name2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCN1CCOCC1
InChIInChI=1S/C13H16N2O2Se/c16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-4H,5-10H2
InChIKeyLGLOPWIQZGBWRF-UHFFFAOYSA-N
XLogP0.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Bavisant
CID 16061509
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Ethaselen
CID 10387485
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
2-(2-Hydroxyethyl)-1,2-benzoselenazol-3-one
CID 12060981
2-[2-(1-Piperidinyl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 651476
ST012869
CID 779502
2-benzyl-1,2-benzisoselenazole-3(2H)-one
CID 13003166
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one (CID 88598251) is 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one?
The InChIKey is LGLOPWIQZGBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2Se/c16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-4H,5-10H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one?
2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one has a molecular weight of 311.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88598251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).