3-benzoyl-1,3-oxazolidine-2,5-dione

C10H7NO4 — CID 149463581

IUPAC3-benzoyl-1,3-oxazolidine-2,5-dione
SMILESO=C1CN(C(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C10H7NO4/c12-8-6-11(10(14)15-8)9(13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYZZKTUDRQPGKEL-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.81
Rot. Bonds1

About 3-benzoyl-1,3-oxazolidine-2,5-dione

3-benzoyl-1,3-oxazolidine-2,5-dione (PubChem CID 149463581) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-benzoyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-benzoyl-1,3-oxazolidine-2,5-dione
PubChem CID149463581
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name3-benzoyl-1,3-oxazolidine-2,5-dione
SMILESO=C1CN(C(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C10H7NO4/c12-8-6-11(10(14)15-8)9(13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYZZKTUDRQPGKEL-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.81
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 53273549
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4-benzoyl-1-methyl-3H-quinoxalin-2-one
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1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione
CID 163786851
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
4-benzoyl-2-chloromorpholin-3-one
CID 19043816
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
CID 140991005
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
CID 23466259
1-benzoylimidazolidin-4-one
CID 121484248
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-benzoyl-1,3-oxazolidine-2,5-dione (CID 149463581) is 3-benzoyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-benzoyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-benzoyl-1,3-oxazolidine-2,5-dione is O=C1CN(C(=O)c2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzoyl-1,3-oxazolidine-2,5-dione?
The InChIKey is YZZKTUDRQPGKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-6-11(10(14)15-8)9(13)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 3-benzoyl-1,3-oxazolidine-2,5-dione?
3-benzoyl-1,3-oxazolidine-2,5-dione has a molecular weight of 205.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 149463581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).