Basic information
- CAS
526-35-2- Standard SMILES
C=CCN1C(=O)OC(C)C1=O- InChIKey
XWZXRENCCHMZNF-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Overview
Allomethadione is an oxazolidinone.
Names & identifiers
- Preferred name
- 5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione
- IUPAC
- 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
- English name
- allomethadione
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
AllomethadioneMalazolMalidoneALOXIDONE526-35-2AllometadioneAllomethadionumAlometadionaBFT641Z2YT5-Methyl-3-(2-propenyl)-2,4-oxazolidinedione2,4-Oxazolidinedione, 3-allyl-5-methyl-RefChem:1073108
Show more names
Alloxidone3-allyl-5-methyl-oxazolidine-2,4-quinone2,4-Oxazolidinedione, 5-methyl-3-(2-propen-1-yl)-
3-Allyl-5-methyl-oxazolidine-2,4-dione5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione208-389-0Allomethadion3-Allyl-5-methyloxazolidine-2,4-dione5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dioneAllydione2,4-Oxazolidinedione, 5-methyl-3-(2-propenyl)-
Database identifiers
- CAS
526-35-2- PubChem CID
- 10683
- DTXSID
DTXSID90862119- ChEMBL
CHEMBL93070- ChEBI
CHEBI:134781- UNII
- BFT641Z2YT
- EC Number
- 208-389-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.5 · bp0.5 86-87°; bp1.8 88.90°
- Density
- 1.3004 · 1.3004 (rough estimate)
- refractive index
- 20 · nD20 1.4710
- pka
- -2.32 · -2.32±0.40(Predicted)
- FDA UNII
- 641 Z2YT · BFT641Z2YT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Allomethadione is an oxazolidinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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