2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(2-thienyl)-
Basic information
- CAS
7088-20-2- Standard SMILES
O=C1CCC2(c3cccs3)OCCCN12- InChIKey
FRJSDFNZJZMTSD-UHFFFAOYSA-N- Molecular formula
- C11H13NO2S
- Average molar mass
- 223.29 g/mol
- Monoisotopic mass
- 223.06669983
Names & identifiers
- Preferred name
- 2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(2-thienyl)-
- IUPAC
- 8a-thiophen-2-yl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
- English name
- 3,4,8,8a-Tetrahydro-8a-(2-thienyl)-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
- Molecular weight
- 0
Names & synonyms
BRN 10788338a-(2-Thienyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo(2,1-b)(1,3)oxazin-6-one7088-20-22H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(2-thienyl)-RefChem:269168CHEMBL3276175DTXSID609911628a-(thiophen-2-yl)tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one3,4,8,8a-Tetrahydro-8a-(2-thienyl)-2H-pyrrolo[2,1-b][1,3]oxazin-6(7H)-one
Database identifiers
- CAS
7088-20-2- PubChem CID
- 201906
- DTXSID
DTXSID60991162- ChEMBL
CHEMBL3276175- Nikkaji
- J49.671E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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