2-Chloro-4-[(1-methyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
Basic information
- Standard SMILES
CN1CC(Nc2ccc(C#N)c(Cl)c2)CC1=O- InChIKey
NZOIPXZYHNLBNB-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O
- Average molar mass
- 249.69 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-[(1-methyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
- IUPAC
- 2-chloro-4-[(1-methyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
Names & synonyms
SCHEMBL4453837
Database identifiers
- PubChem CID
- 69050415
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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Related reactions
4 records
Compound notes
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