Basic information
- CAS
89216-02-4- Standard SMILES
CCOC(=O)C(CC1CCCN1C=O)C(=O)OCC- InChIKey
IKLYOUBPVPYDQI-UHFFFAOYSA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.14197277
Names & identifiers
- Preferred name
- Diethyl [(1-formylpyrrolidin-2-yl)methyl]propanedioate
- IUPAC
- diethyl 2-[(1-formylpyrrolidin-2-yl)methyl]propanedioate
Names & synonyms
89216-02-4DTXSID10752407Diethyl [(1-formylpyrrolidin-2-yl)methyl]propanedioate
Database identifiers
- CAS
89216-02-4- PubChem CID
- 71322764
- DTXSID
DTXSID10752407
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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