1-Chloropyrrolidin-2-one
Basic information
- CAS
33744-04-6- Standard SMILES
O=C1CCCN1Cl- InChIKey
AWJXEUXVDUIDEV-UHFFFAOYSA-N- Molecular formula
- C4H6ClNO
- Average molar mass
- 119.55 g/mol
- Monoisotopic mass
- 119.0137915
Names & identifiers
- Preferred name
- 1-Chloropyrrolidin-2-one
- IUPAC
- 1-chloropyrrolidin-2-one
Names & synonyms
NSC22305533744-04-61-chloropyrrolidin-2-onePyrrolidonylchloridN-chloropyrrolidone2-Pyrrolidinone, 1-chloro-SCHEMBL435609DTXSID90310241NSC-223055
Database identifiers
- CAS
33744-04-6- PubChem CID
- 312698
- DTXSID
DTXSID90310241- Nikkaji
- J1.944.259D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 93.7
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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Compound notes
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