Basic information
- Standard SMILES
O=C1C=C(N2CCCCCC2)CN1c1ccc(Cl)cc1- InChIKey
NIJBPICPHUQRJF-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O
- Average molar mass
- 290.79 g/mol
- Monoisotopic mass
- 290.1185909
Names & identifiers
- Preferred name
- 4-(Azepan-1-yl)-1-(4-chlorophenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 3-(azepan-1-yl)-1-(4-chlorophenyl)-2H-pyrrol-5-one
Names & synonyms
CHEMBL203651SCHEMBL7587597DTXSID80878027R3871-N224-(Azepan-1-yl)-1-(4-chlorophenyl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- PubChem CID
- 11637867
- DTXSID
DTXSID80878027- ChEMBL
CHEMBL203651
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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