4-benzoylmorpholine-2,6-dione

C11H9NO4 — CID 53273549

IUPAC4-benzoylmorpholine-2,6-dione
SMILESO=C1CN(C(=O)c2ccccc2)CC(=O)O1
InChIInChI=1S/C11H9NO4/c13-9-6-12(7-10(14)16-9)11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZGVBLFVLBWYWOE-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.21
Rot. Bonds1

About 4-benzoylmorpholine-2,6-dione

4-benzoylmorpholine-2,6-dione (PubChem CID 53273549) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-benzoylmorpholine-2,6-dione.

Molecular Properties

Compound Name4-benzoylmorpholine-2,6-dione
PubChem CID53273549
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name4-benzoylmorpholine-2,6-dione
SMILESO=C1CN(C(=O)c2ccccc2)CC(=O)O1
InChIInChI=1S/C11H9NO4/c13-9-6-12(7-10(14)16-9)11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZGVBLFVLBWYWOE-UHFFFAOYSA-N
XLogP0.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 149463581
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CID 67288829
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
1-benzoylimidazolidin-4-one
CID 121484248
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
4-benzoylpiperazine-1-carbothialdehyde
CID 145488084
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718

Frequently Asked Questions

What is the IUPAC name of 4-benzoylmorpholine-2,6-dione?
The IUPAC name of 4-benzoylmorpholine-2,6-dione (CID 53273549) is 4-benzoylmorpholine-2,6-dione.
What is the SMILES notation for 4-benzoylmorpholine-2,6-dione?
The canonical SMILES for 4-benzoylmorpholine-2,6-dione is O=C1CN(C(=O)c2ccccc2)CC(=O)O1.
What is the InChIKey of 4-benzoylmorpholine-2,6-dione?
The InChIKey is ZGVBLFVLBWYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-6-12(7-10(14)16-9)11(15)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-benzoylmorpholine-2,6-dione?
4-benzoylmorpholine-2,6-dione has a molecular weight of 219.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoylmorpholine-2,6-dione is sourced from PubChem (CID 53273549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).