Basic information
- CAS
275363-22-9- Standard SMILES
O=C1C=C(N2CCCCCC2)C2(CCCCC2)O1- InChIKey
HPUVOZZRGIMQGQ-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- 4-(Azepan-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
- IUPAC
- 4-(azepan-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
4-(azepan-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one275363-22-94-(1-azepanyl)-1-oxaspiro[4.5]dec-3-en-2-oneOprea1_662284Oprea1_673121MLS000711537CHEMBL1308073DTXSID301331728HMS2638N07HMS3362D11HTS04103STK752121
Show more names
AKOS000670925SMR000281304ST51013654AB00080834-01AG-205/36523018SR-010005122264-azaperhydroepinyl-1-oxaspiro[4.5]dec-3-en-2-oneSR-01000512226-1
Database identifiers
- CAS
275363-22-9- PubChem CID
- 684232
- DTXSID
DTXSID301331728- ChEMBL
CHEMBL1308073
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility37.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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