morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone

C11H11N3O4 — CID 10634332

IUPACmorpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone
SMILESO=C(c1ccc2no[n+]([O-])c2c1)N1CCOCC1
InChIInChI=1S/C11H11N3O4/c15-11(13-3-5-17-6-4-13)8-1-2-9-10(7-8)14(16)18-12-9/h1-2,7H,3-6H2
InChIKeySOCVGDAOUUNKNA-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.07
Rot. Bonds1

About morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone

morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone (PubChem CID 10634332) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone
PubChem CID10634332
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemorpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone
SMILESO=C(c1ccc2no[n+]([O-])c2c1)N1CCOCC1
InChIInChI=1S/C11H11N3O4/c15-11(13-3-5-17-6-4-13)8-1-2-9-10(7-8)14(16)18-12-9/h1-2,7H,3-6H2
InChIKeySOCVGDAOUUNKNA-UHFFFAOYSA-N
XLogP-0.07
TPSA82.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone (CID 10634332) is morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone is O=C(c1ccc2no[n+]([O-])c2c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone?
The InChIKey is SOCVGDAOUUNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-11(13-3-5-17-6-4-13)8-1-2-9-10(7-8)14(16)18-12-9/h1-2,7H,3-6H2.
What are the key properties of morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone?
morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone has a molecular weight of 249.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methanone is sourced from PubChem (CID 10634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).