3-Methyl-3-propyl-2,5-pyrrolidinedione
Basic information
- CAS
1497-19-4- Standard SMILES
CCCC1(C)CC(=O)NC1=O- InChIKey
VXXGMHKGORIRTK-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Methyl-3-propyl-2,5-pyrrolidinedione
- IUPAC
- 3-methyl-3-propylpyrrolidine-2,5-dione
- English name
- alpha-Methyl-alpha-propylsuccinimide
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
1497-19-4MethylpropylsuccinimideMethylpropylsuximide3-Methyl-3-propyl-2,5-pyrrolidinedione2,5-Pyrrolidinedione, 3-methyl-3-propyl-RefChem:911509216-092-23-Methyl-3-propylpyrrolidine-2,5-dionealpha-Methyl-alpha-propylsuccinimideEINECS 216-092-2Propyl-methyl-SuccinimidSCHEMBL1566072
Show more names
2-Methyl-2-propylsuccinimideA-METHYL-A-PROPYLSUCCINIMIDEα-METHYL-α-PROPYLSUCCINIMIDEALPHA-METHYL-ALPHA-PROPYLSUCCINIMIDE, 99 +%(3R)-3-methyl-3-propylpyrrolidine-2,5-dione
VXXGMHKGORIRTK-UHFFFAOYSA-DTXSID20933705alpha-Methyl-alpha-propyl-succinimideMFCD00005498AKOS0052615653-methyl-3-propylazolidine-2,5-dione.alpha.-Methyl-.alpha.-propylsuccinimide3-Methyl-3-propyl-2,5-pyrrolidinedione #
Database identifiers
- CAS
1497-19-4- PubChem CID
- 73899
- DTXSID
DTXSID20933705- EC Number
- 216-092-2
- Nikkaji
- J149.935A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 76 · 76-77 °C(lit.)
- Boiling point
- 279 °C · 279°C (rough estimate)
- Density
- 1.1174 · 1.1174 (rough estimate)
- refractive index
- 1.489 · 1.4890 (estimate)
- pka
- 9.7 · 9.70±0.50(Predicted)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29251995 · 29251995
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29251995
- safety_code
- 24/25
Suppliers
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Related reactions
1 records
Compound notes
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