Basic information
- CAS
120425-64-1- Standard SMILES
CCCC(CCC)C(=O)N1CCCC1=O- InChIKey
INUYHJPEPBJSIG-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Overview
structure given in first source
Names & identifiers
- Preferred name
- Valproyl-2-pyrrolidinone
- IUPAC
- 1-(2-propylpentanoyl)pyrrolidin-2-one
- English name
- valproyl-2-pyrrolidinone
- Molecular formula
- C12H21NO2
- Molecular weight
- 211.3
Names & synonyms
Valproyl-2-pyrrolidinoneVlp-pyd120425-64-1DTXSID20152858RefChem:193614DTXCID70753491-(2-propylpentanoyl)pyrrolidin-2-oneSCHEMBL92623532-Pyrrolidinone, 1-(1-oxo-2-propylpentyl)-
Database identifiers
- CAS
120425-64-1- PubChem CID
- 129151
- DTXSID
DTXSID20152858- Nikkaji
- J2.890.324C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 150 · 150-152 °C(Press: 10 Torr)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- -1.4 · -1.40±0.20(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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