6-(3-Chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one
Basic information
- CAS
59798-73-1- Standard SMILES
CC1OC2(CCCCC2Oc2cccc(Cl)c2)NC1=O- InChIKey
PSHBCUHYCLAGPZ-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO3
- Average molar mass
- 295.76 g/mol
- Monoisotopic mass
- 295.0975211
Names & identifiers
- Preferred name
- 6-(3-Chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one
- IUPAC
- 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one
- English name
- enilospirone
- Molecular formula
- C15H18ClNO3
- Molecular weight
- 295.76
Names & synonyms
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-oneCERM-3726orb1740446SCHEMBL6767543T69034Q53789583726CERMenilospirone1-Oxa-4-azaspiro[4.5]decan-3-one, 6-(3-chlorophenoxy)-2-methyl-
Database identifiers
- CAS
59798-73-1- PubChem CID
- 68794
- Nikkaji
- J22.749H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- FDA UNII
- 31 V62797 · WO31V62797
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…