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Basic information
- Standard SMILES
CCCC1CC(=O)N(Cn2cccc2Cl)C1- InChIKey
OHEPQIPVKOIBOR-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- 1-[(2-chloro-1H-pyrrol-1-yl)methyl]-4-propylpyrrolidin-2-one
- IUPAC
- 1-[(2-chloropyrrol-1-yl)methyl]-4-propylpyrrolidin-2-one
Names & synonyms
SCHEMBL2334992OHEPQIPVKOIBOR-UHFFFAOYSA-N1-[(2-chloro-1H-pyrrol-1-yl)methyl]-4-propylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 57743072
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
4 records
Compound notes
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