Azepan-1-yl(cyclohex-3-en-1-yl)methanone
Basic information
- CAS
52736-59-1- Standard SMILES
O=C(C1CC=CCC1)N1CCCCCC1- InChIKey
FKSRKZXBQQILCD-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- Azepan-1-yl(cyclohex-3-en-1-yl)methanone
- IUPAC
- azepan-1-yl(cyclohex-3-en-1-yl)methanone
Names & synonyms
azepan-1-yl(cyclohex-3-en-1-yl)methanoneMLS00310702152736-59-1NSC195020CHEMBL2136790DTXSID90307772AKOS031000768NSC-195020SMR001821902(Azepan-1-yl)(cyclohex-3-en-1-yl)methanoneZ144334516
Database identifiers
- CAS
52736-59-1- PubChem CID
- 304091
- DTXSID
DTXSID90307772- ChEMBL
CHEMBL2136790
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…