2(5H)-Furanone, 3-bromo-5-((dimethylamino)methyl)-4,5-dimethyl-
Basic information
- CAS
104502-47-8- Standard SMILES
CC1=C(Br)C(=O)OC1(C)CN(C)C- InChIKey
BDABRNBCSKBMST-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO2
- Average molar mass
- 248.12 g/mol
- Monoisotopic mass
- 247.02079
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 3-bromo-5-((dimethylamino)methyl)-4,5-dimethyl-
- IUPAC
- 3-bromo-5-[(dimethylamino)methyl]-4,5-dimethylfuran-2-one
Names & synonyms
BRN 4676886104502-47-82(5H)-FURANONE, 3-BROMO-5-((DIMETHYLAMINO)METHYL)-4,5-DIMETHYL-3-Bromo-2,5-dihydro-4,5-dimethyl-5-(dimethylaminomethyl)-2-furanoneRefChem:241762BDABRNBCSKBMST-UHFFFAOYSA-N3-Bromo-5-((dimethylamino)methyl)-4,5-dimethyl-2(5H)-furanone2-Bromo-3,4-dimethyl-4-dimethylaminomethyl-2-butenolide-4DTXSID709090163-bromo-5-[(dimethylamino)methyl]-4,5-dimethylfuran-2(5h)-one
Database identifiers
- CAS
104502-47-8- PubChem CID
- 59860
- DTXSID
DTXSID70909016- Nikkaji
- J599.939A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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