1-(Prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
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Basic information
- CAS
97484-76-9- Standard SMILES
C#CCn1c(=O)oc(=O)c2cccnc21- InChIKey
YCXPMVJPZIPWAL-UHFFFAOYSA-N- Molecular formula
- C10H6N2O3
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.03784206
Names & identifiers
- Preferred name
- 1-(Prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
- IUPAC
- 1-prop-2-ynylpyrido[2,3-d][1,3]oxazine-2,4-dione
- English name
- 1-(prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
- Molecular formula
- C10H6N2O3
- Molecular weight
- 202.17
Names & synonyms
97484-76-91-(Prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione1-(Prop-2-yn-1-yl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione1-(Prop-2-yn-1-yl)-2H-pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione1-prop-2-ynylpyrido[2,3-d][1,3]oxazine-2,4-dione1-(prop-2-yn-1-yl)-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dioneDTXSID90540440MFCD17011897AKOS015837683Reaxys ID: 44451422H-Pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione, 1-(2-propyn-1-yl)-
Database identifiers
- CAS
97484-76-9- PubChem CID
- 13425107
- DTXSID
DTXSID90540440
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 126 · 126-129 °C
- Boiling point
- 364.6 · 364.6±48.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- -0.52 · -0.52±0.20(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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