4-Piperidinone, 5-(hydroxymethylene)-1,2-dimethyl-
Basic information
- CAS
745002-63-5- Standard SMILES
CC1CC(=O)C(=CO)CN1C- InChIKey
CAROYGIOJQWLNR-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
Names & identifiers
- Preferred name
- 4-Piperidinone, 5-(hydroxymethylene)-1,2-dimethyl-
- IUPAC
- 5-(hydroxymethylidene)-1,2-dimethylpiperidin-4-one
- English name
- 4-Piperidinone, 5-(hydroxymethylene)-1,2-dimethyl- (9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
745002-63-5DB-2727244-PIPERIDINONE, 5-(HYDROXYMETHYLENE)-1,2-DIMETHYL-4-Piperidinone, 5-(hydroxymethylene)-1,2-dimethyl- (9CI)
Database identifiers
- CAS
745002-63-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 258.359 · 258.359±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.368 · 2.368±0.40(predicted)
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Compound notes
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