Ethyl 3-[(dimethylamino)methylene]-2,4-dioxopentanoate
Basic information
- CAS
112381-22-3- Standard SMILES
CCOC(=O)C(=O)C(=CN(C)C)C(C)=O- InChIKey
CCRFHDNIPIFUCS-UHFFFAOYSA-N- Molecular formula
- C10H15NO4
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.10010796
Names & identifiers
- Preferred name
- Ethyl 3-[(dimethylamino)methylene]-2,4-dioxopentanoate
- IUPAC
- ethyl 3-(dimethylaminomethylidene)-2,4-dioxopentanoate
Names & synonyms
DTXSID601208502Ethyl 3-[(dimethylamino)methylene]-2,4-dioxopentanoateEthyl 3-[(dimethylamino)methylidene]-2,4-dioxopentanoate112381-22-3
Database identifiers
- CAS
112381-22-3- PubChem CID
- 85539161
- DTXSID
DTXSID601208502
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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