5-Ethenyl-2-pyrrolidinone
Basic information
- CAS
7529-16-0- Standard SMILES
C=CC1CCC(=O)N1- InChIKey
OYVDXEVJHXWJAE-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 5-Ethenyl-2-pyrrolidinone
- IUPAC
- 5-ethenylpyrrolidin-2-one
- English name
- 5-Vinylpyrrolidone
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
7529-16-05-vinyl-2-pyrrolidinone5-Ethenyl-2-pyrrolidinone2-Pyrrolidinone, 5-vinyl-MDL 17637-03UNII-739J1G8PUA739J1G8PUAEC 616-206-4VIGABATRIN IMPURITY A (EP IMPURITY)VIGABATRIN IMPURITY A [EP IMPURITY]RefChem:102519(+-)-5-VINYLPYRROLIDIN-2-ONE
Show more names
Vigabatrin Related CoMpound A(5RS)-5-Ethenylpyrrolidin-2-one5-Vinylpyrrolidon-2Vigabatrin impurity A
616-206-45-Vinylpyrrolidin-2-one5-VINYLPYRROLIDONE5-ethenylpyrrolidin-2-oneVigabatrin EP Impurity A2-Pyrrolidinone, 5-ethenyl-5-vinyl-2-pyrrolidone(+/-)-5-Vinylpyrrolidin-2-one
Database identifiers
- CAS
7529-16-0- PubChem CID
- 24150
- DTXSID
DTXSID001318830- UNII
- 739J1G8PUA
- EC Number
- 616-206-4
- Nikkaji
- J549.679I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Vigabatarin
Physicochemical properties
- Boiling point
- 85 · 85-90 °C(Press: 0.1 Torr)
- Density
- 1.043 · 1.043
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), DMSO, Methanol (Slightly)
- form
- liquid
- pka
- 15.94 · 15.94±0.40(Predicted)
- color
- Colourless to Brown
- Stability
- Light Sensitive
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C6H9NO/c1-2-5-3-4-6(8)7-5/h2,5H,1,3-4H2,(H,7,8)
- InChIKey
- OYVDXEVJHXWJAE-UHFFFAOYSA-N
- SMILES
- N1C(CCC1=O)C=C
- FDA UNII
- 739 J1G8PUA · 739J1G8PUA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H311 (25%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5-Ethenyl-2-pyrrolidinone (EC: 616-206-4)
Hazard Classes and CategoriesAcute Tox. 3 (75%)
Safety data
- wgk
- WGK 1
- hs_code
- 2922498050
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301+H311-H318
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P310-P302+P352+P312-P305+P351+P338
Chemistry & industry
Applications
UsesVigabatrin (V253000) impurity. Vigabatrin USP Related Compound A.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
13 records
Compound notes
Loading…