Basic information
- CAS
64431-71-6- Standard SMILES
CC1(C)C2CCC1(C)C(OC(=O)C1CCC(=O)N1)C2- InChIKey
XODDLQGGEAGBHB-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
Names & identifiers
- Preferred name
- 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 5-oxo-DL-prolinate
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-oxopyrrolidine-2-carboxylate
- English name
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 5-oxo-DL-prolinate
- Molecular formula
- C15H23NO3
- Molecular weight
- 265.35
Names & synonyms
EINECS 264-896-764431-71-61,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 5-oxo-DL-prolinate1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 5-oxo-DL-prolinateSCHEMBL10353257DTXSID20983003XODDLQGGEAGBHB-UHFFFAOYSA-NDB-2158421,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate5-Oxo-DL-proline 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl(±)-5-Oxoproline 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylProline, 5-oxo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
Database identifiers
- CAS
64431-71-6- PubChem CID
- 6454889
- DTXSID
DTXSID20983003- EC Number
- 264-896-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 399.335 · 399.335±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.599 · 14.599±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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