5-Methyl-4-(4-nitrophenyl)pyrazolidin-3-one
Basic information
- CAS
13051-13-3- Standard SMILES
CC1NNC(=O)C1c1ccc([N+](=O)[O-])cc1- InChIKey
UCVOGOBPJUGZJL-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.08004122
Names & identifiers
- Preferred name
- 5-Methyl-4-(4-nitrophenyl)pyrazolidin-3-one
- IUPAC
- 5-methyl-4-(4-nitrophenyl)pyrazolidin-3-one
Names & synonyms
5-methyl-4-(4-nitrophenyl)pyrazolidin-3-one13051-13-3NSC109912DTXSID00296562NSC-109912
Database identifiers
- CAS
13051-13-3- PubChem CID
- 269256
- DTXSID
DTXSID00296562
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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