Basic information
- CAS
20381-04-8- Standard SMILES
Cc1ccc(C23CCC(=O)N2CCCO3)c(C)c1- InChIKey
XSFAMKAWDRDGMU-UHFFFAOYSA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Names & identifiers
- Preferred name
- 2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(2,4-xylyl)-
- IUPAC
- 8a-(2,4-dimethylphenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
Names & synonyms
20381-04-8BRN 12185668a-(2,4-Xylyl)-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-(2,4-xylyl)-RefChem:2691678a-(2,4-dimethylphenyl)tetrahydro-2h-pyrrolo[2,1-b][1,3]oxazin-6(7h)-oneCHEMBL3276174DTXSID70942549
Database identifiers
- CAS
20381-04-8- PubChem CID
- 209786
- DTXSID
DTXSID70942549- ChEMBL
CHEMBL3276174- Nikkaji
- J72.954J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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