N-Allylmethyprylon
Basic information
- CAS
106463-20-1- Standard SMILES
C=CCN1CC(C)C(=O)C(CC)(CC)C1=O- InChIKey
SHTUEFWBMJJSIC-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Allylmethyprylon
- IUPAC
- 3,3-diethyl-5-methyl-1-prop-2-enylpiperidine-2,4-dione
- English name
- 1-Allyl-3,3-diethyl-5-methyl-2,4-piperidinedione
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31
Names & synonyms
N-Allylmethyprylon106463-20-12,4-Piperidinedione, 3,3-diethyl-5-methyl-1-(2-propenyl)-RefChem:1628471-Allyl-3,3-diethyl-5-methyl-2,4-piperidinedione3,3-Diethyl-5-methyl-1-(2-propenyl)-2,4-piperidinedioneDTXSID309100073,3-DIETHYL-5-METHYL-1-(PROP-2-EN-1-YL)PIPERIDINE-2,4-DIONE2,4-Piperidinedione, 3,3-diethyl-5-methyl-1-(2-propen-1-yl)-
Database identifiers
- CAS
106463-20-1- PubChem CID
- 129333
- DTXSID
DTXSID30910007
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 324.4 · 324.4±35.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- pka
- -0.91 · -0.91±0.60(Predicted)
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Related reactions
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Compound notes
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