3,3-Diethyl-5-[2-(1H-imidazol-1-yl)ethyl]oxolan-2-one
Basic information
- CAS
827017-78-7- Standard SMILES
CCC1(CC)CC(CCn2ccnc2)OC1=O- InChIKey
CFDBOENTNWKKGZ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- 3,3-Diethyl-5-[2-(1H-imidazol-1-yl)ethyl]oxolan-2-one
- IUPAC
- 3,3-diethyl-5-(2-imidazol-1-ylethyl)oxolan-2-one
Names & synonyms
827017-78-73,3-Diethyl-5-[2-(1H-imidazol-1-yl)ethyl]oxolan-2-oneDTXSID30837200
Database identifiers
- CAS
827017-78-7- PubChem CID
- 71417870
- DTXSID
DTXSID30837200
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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