Basic information
- CAS
61213-07-8- Standard SMILES
C=CCN1CC(CCl)C(Cl)(Cl)C1=O- InChIKey
WBGRZWOLIHENGK-UHFFFAOYSA-N- Molecular formula
- C8H10Cl3NO
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.982797
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-(2-propenyl)-
- IUPAC
- 3,3-dichloro-4-(chloromethyl)-1-prop-2-enylpyrrolidin-2-one
Names & synonyms
61213-07-82-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-(2-propenyl)-SCHEMBL11606209DTXSID804338323,3-DICHLORO-4-(CHLOROMETHYL)-1-(PROP-2-EN-1-YL)PYRROLIDIN-2-ONE1-allyl-3,3-dichloro-4-chloromethyl-pyrrolidin-2-one
Database identifiers
- CAS
61213-07-8- PubChem CID
- 9991985
- DTXSID
DTXSID80433832- Nikkaji
- J515.710B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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