Basic information
- CAS
651313-96-1- Standard SMILES
C(#CC12CCCN1CCC2)c1ccno1- InChIKey
DRFFGJGPMOYBKT-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 1H-Pyrrolizine, hexahydro-7a-(5-isoxazolylethynyl)-
- IUPAC
- 5-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethynyl]-1,2-oxazole
Names & synonyms
651313-96-11H-Pyrrolizine, hexahydro-7a-(5-isoxazolylethynyl)-SCHEMBL6820412DTXSID804345017a-[(1,2-Oxazol-5-yl)ethynyl]hexahydro-1H-pyrrolizine
Database identifiers
- CAS
651313-96-1- PubChem CID
- 10035751
- DTXSID
DTXSID80434501
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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