Basic information
- CAS
148706-16-5- Standard SMILES
O=C1OC(c2ccccc2)=NC12CC2- InChIKey
BGLLCYNAEQRVGF-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
- IUPAC
- 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Names & synonyms
6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-oneCHEMBL310948SCHEMBL6687129DTXSID901253970148706-16-55-Phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Database identifiers
- CAS
148706-16-5- PubChem CID
- 504604
- DTXSID
DTXSID901253970- ChEMBL
CHEMBL310948
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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