Hexahydroazocine-5-one, 1-ethyl-
Basic information
- CAS
37727-90-5- Standard SMILES
CCN1CCCC(=O)CCC1- InChIKey
BJYGRXJOOASJTR-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- Hexahydroazocine-5-one, 1-ethyl-
- IUPAC
- 1-ethylazocan-5-one
Names & synonyms
Hexahydroazocine-5-one, 1-ethyl-37727-90-51-ethylazocan-5-one1-Ethyl-azocan-5-oneDTXSID00191164
Database identifiers
- CAS
37727-90-5- PubChem CID
- 142193
- DTXSID
DTXSID00191164
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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