Basic information
- CAS
104502-48-9- Standard SMILES
CC1=C(Br)C(=O)OC1(C)CN1CCCC1- InChIKey
BKHRJLZCGLOQLR-UHFFFAOYSA-N- Molecular formula
- C11H16BrNO2
- Average molar mass
- 274.15 g/mol
- Monoisotopic mass
- 273.03644
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)-
- IUPAC
- 3-bromo-4,5-dimethyl-5-(pyrrolidin-1-ylmethyl)furan-2-one
Names & synonyms
BRN 4684762104502-48-93-Bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)-2(5H)-furanone2(5H)-FURANONE, 3-BROMO-4,5-DIMETHYL-5-(1-PYRROLIDINYLMETHYL)-RefChem:241758DTXSID309090173-Bromo-4,5-dimethyl-5-[(pyrrolidin-1-yl)methyl]furan-2(5H)-one
Database identifiers
- CAS
104502-48-9- PubChem CID
- 59861
- DTXSID
DTXSID30909017
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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