Basic information
- CAS
17201-66-0- Standard SMILES
O=C1CCCN1C[C@H]1CO1- InChIKey
ZNCCGGMWVUBVBO-LURJTMIESA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- 1-{[(2S)-oxiran-2-yl]methyl}pyrrolidin-2-one
- IUPAC
- 1-[[(2S)-oxiran-2-yl]methyl]pyrrolidin-2-one
- English name
- 1-(2-Oxiranylmethyl)-2-pyrrolidinone
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
1-{[(2S)-oxiran-2-yl]methyl}pyrrolidin-2-oneSCHEMBL22398815DTXSID10938082409335-14-4DB-2712232-PYRROLIDINONE, 1-[(2S)-OXIRANYLMETHYL]-1-(2-Oxiranylmethyl)-2-pyrrolidinone2-Pyrrolidinone, 1-(2-oxiranylmethyl)-
Database identifiers
- CAS
17201-66-0- PubChem CID
- 699010
- DTXSID
DTXSID10938082- Nikkaji
- J1.688.810I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 118 · 118-124°C
- Boiling point
- 112.5 · 112.5-113 °C(Press: 3 Torr)
- Density
- 1.137 g/cm3 · 1.1370 g/cm3
- pka
- -0.56 · -0.56±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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