2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-chlorophenyl)-
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Basic information
- CAS
7088-16-6- Standard SMILES
O=C1CCC2(c3ccc(Cl)cc3)OCCCN12- InChIKey
ARVSFTLWQNLALI-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Names & identifiers
- Preferred name
- 2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-chlorophenyl)-
- IUPAC
- 8a-(4-chlorophenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
- English name
- 8a-(4-Chlorophenyl)-3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
- Molecular weight
- 0
Names & synonyms
BRN 12191282H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-chlorophenyl)-7088-16-68a-(p-Chlorophenyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo(2,1-b)(1,3)oxazin-6-oneRefChem:269170CHEMBL3275891DTXSID409911608a-(4-Chlorophenyl)tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one8a-(4-Chlorophenyl)-3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
Database identifiers
- CAS
7088-16-6- PubChem CID
- 201904
- DTXSID
DTXSID40991160- ChEMBL
CHEMBL3275891- Nikkaji
- J49.669C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in rat: 675mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in rat: 675mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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