3-(2-Oxopropylidene)azetidin-2-one
Basic information
- CAS
132880-09-2- Standard SMILES
CC(=O)/C=C1\CNC1=O- InChIKey
JLDIHAVZJSLHST-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Overview
derivatives of this compound are platelet aggregation inhibitors; structure given in first source
Names & identifiers
- Preferred name
- 3-(2-Oxopropylidene)azetidin-2-one
- IUPAC
- (3E)-3-(2-oxopropylidene)azetidin-2-one
- English name
- 2-Azetidinone, 3-(2-oxopropylidene)- (9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
3-Opao3-(2-Oxopropylidene)azetidin-2-one132880-09-2RefChem:922352-Azetidinone, 3-(2-oxopropylidene)-2-Azetidinone, 3-(2-oxopropylidene)- (9CI)
Database identifiers
- CAS
132880-09-2- PubChem CID
- 6439342
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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