3,5-Pyrazolidinedione, 4-ethyl-
Basic information
- CAS
23876-80-4- Standard SMILES
CCC1C(=O)NNC1=O- InChIKey
PGNOKTLWDKPEHC-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-ethyl-
- IUPAC
- 4-ethylpyrazolidine-3,5-dione
Names & synonyms
4-ethylpyrazolidine-3,5-dione23876-80-43,5-Pyrazolidinedione, 4-ethyl-SCHEMBL992512SCHEMBL992991DTXSID30484516
Database identifiers
- CAS
23876-80-4- PubChem CID
- 12286752
- DTXSID
DTXSID30484516
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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