Basic information
- CAS
79624-33-2- Standard SMILES
CC1CN(N=O)C(=O)O1- InChIKey
CWPDWGWHFVCTQM-UHFFFAOYSA-N- Molecular formula
- C4H6N2O3
- Average molar mass
- 130.1 g/mol
- Monoisotopic mass
- 130.03784206
Overview
structure given in first source
Names & identifiers
- Preferred name
- Nitroso-5-methyloxazolidone
- IUPAC
- 5-methyl-3-nitroso-1,3-oxazolidin-2-one
- English name
- 3-nitroso-5-methyl-2-oxazolidone
- Molecular formula
- C4H6N2O3
- Molecular weight
- 130.1
Names & synonyms
Nitroso-5-methyloxazolidone3-Nitroso-5-methyl-2-oxazolidone79624-33-2NB62V2BLJI2-Oxazolidinone, 5-methyl-3-nitroso-3-nitroso-5-methyloxazolidinoneDTXSID9021471RefChem:95056DTXCID4014715-methyl-3-nitroso-1,3-oxazolidin-2-oneCCRIS 6160UNII-NB62V2BLJI
Show more names
CHEMBL2675705-Methyl-3-nitrosooxazolidin-2-oneQ27284768
Database identifiers
- CAS
79624-33-2- PubChem CID
- 133239
- DTXSID
DTXSID9021471- ChEMBL
CHEMBL267570- UNII
- NB62V2BLJI
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 30 · 30-32 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling point
- 151.9 · 151.9±23.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- -2.75 · -2.75±0.40(Predicted)
- FDA UNII
- 62 V2BLJI · NB62V2BLJI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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