Basic information
- Standard SMILES
O=C1NC2(CCCCC2)Oc2ccccc21- InChIKey
GMKQOWMDPZAYKG-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
Names & identifiers
- Preferred name
- spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
- IUPAC
- spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
Names & synonyms
40033-95-2spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-onespiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-onespiro[3H-benzo[e]1,3-oxazaperhydroine-2,1'-cyclohexane]-4-oneOprea1_173687Oprea1_541668MLS000072490SCHEMBL7508014SCHEMBL7781820CHEMBL1399527SCHEMBL17977428SCHEMBL29425214
Show more names
GMKQOWMDPZAYKG-UHFFFAOYSA-NHMS1665A05HMS2185H15STK877711AKOS000613525CCG-253888SMR000008904ST018744
Database identifiers
- PubChem CID
- 652743
- ChEMBL
CHEMBL1399527- Nikkaji
- J854.564B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
5 records
Compound notes
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