Basic information
- CAS
7088-21-3- Standard SMILES
O=C1CCC2(c3ccc(F)cc3)OCCCN12- InChIKey
OYARXWWFTYDBCS-UHFFFAOYSA-N- Molecular formula
- C13H14FNO2
- Average molar mass
- 235.25 g/mol
- Monoisotopic mass
- 235.10085685
Names & identifiers
- Preferred name
- 2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-fluorophenyl)-
- IUPAC
- 8a-(4-fluorophenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
- English name
- 8a-(4-Fluorophenyl)-3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
- Molecular formula
- C13H14FNO2
- Molecular weight
- 235.25
Names & synonyms
BRN 12191277088-21-38a-(p-Fluorophenyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo(2,1-b)(1,3)oxazin-6-one2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-fluorophenyl)-RefChem:269171CHEMBL3275890DTXSID209911638a-(4-Fluorophenyl)tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one2H-Pyrrolo[2,1-b][1,3]oxazin-6(7H)-one, 8a-(4-fluorophenyl)tetrahydro-8a-(4-Fluorophenyl)-3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
Database identifiers
- CAS
7088-21-3- PubChem CID
- 201907
- DTXSID
DTXSID20991163- ChEMBL
CHEMBL3275890- Nikkaji
- J49.672C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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