Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
Basic information
- CAS
91690-82-3- Standard SMILES
CC(C)C(=O)C(C)(C)C(=O)N1CCCC1- InChIKey
QCMUKRBNJZARHX-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
- IUPAC
- 2,2,4-trimethyl-1-pyrrolidin-1-ylpentane-1,3-dione
Names & synonyms
91690-82-3NSC220112Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-DTXSID009195872,2,4-TRIMETHYL-1-(PYRROLIDIN-1-YL)PENTANE-1,3-DIONENSC-220112
Database identifiers
- CAS
91690-82-3- PubChem CID
- 312042
- DTXSID
DTXSID00919587- Nikkaji
- J107.008H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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