Dimethylpyrrolinon
Basic information
- CAS
106556-70-1- Standard SMILES
CC1(C)NC=CC1=O- InChIKey
TWLXOLHIGKHHDU-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- Dimethylpyrrolinon
- IUPAC
- 2,2-dimethyl-1H-pyrrol-3-one
Names & synonyms
DimethylpyrrolinonDTXSID301274958AKOS006375582106556-70-11,2-Dihydro-2,2-dimethyl-3H-pyrrol-3-one2,2-Dimethyl-1,2-dihydro-3H-pyrrol-3-oneInChI=1/C6H9NO/c1-6(2)5(8)3-4-7-6/h3-4,7H,1-2H
Database identifiers
- CAS
106556-70-1- PubChem CID
- 13601742
- DTXSID
DTXSID301274958
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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