(2'R,4'S)-3'-(4-nitrophenyl)spiro[1,3-dioxolane-2,8'-3-azatricyclo[3.2.1.02,4]octane]
Basic information
- CAS
66323-55-5- Standard SMILES
O=[N+]([O-])c1ccc(N2[C@@H]3C4CCC([C@@H]32)C42OCCO2)cc1- InChIKey
BUFPZQAWCCFQBP-VBJQFUKPSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.111007
Names & identifiers
- Preferred name
- (2'R,4'S)-3'-(4-nitrophenyl)spiro[1,3-dioxolane-2,8'-3-azatricyclo[3.2.1.02,4]octane]
- IUPAC
- (2'R,4'S)-3'-(4-nitrophenyl)spiro[1,3-dioxolane-2,8'-3-azatricyclo[3.2.1.02,4]octane]
Names & synonyms
NSC31557766323-55-5DTXSID00317448NSC-315577(2R,4S)-3-(4-Nitrophenyl)spiro[3-azatricyclo[3.2.1.0~2,4~]octane-8,2'-[1,3]dioxolane]
Database identifiers
- CAS
66323-55-5- PubChem CID
- 330063
- DTXSID
DTXSID00317448
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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