2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-
Basic information
- CAS
21787-45-1- Standard SMILES
O=C1COc2ccccc2N1C1CCN(Cc2ccccc2)C1- InChIKey
YSVLRHDPAPVJTE-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-
- IUPAC
- 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one
Names & synonyms
21787-45-12H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(1-BENZYL-3-PYRROLIDINYL)-RefChem:10651034-(1-Benzyl-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-oneDTXSID509443894-(1-benzylpyrrolidin-3-yl)-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- CAS
21787-45-1- PubChem CID
- 30811
- DTXSID
DTXSID50944389
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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