(4R)-4-(1-methylethyl)-3-(1,2-propadienyl)-2-Oxazolidinone
Basic information
- CAS
357426-83-6- Standard SMILES
C=C=CN1C(=O)OC[C@H]1C(C)C- InChIKey
URQNYEMNBPCVPF-QMMMGPOBSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- (4R)-4-(1-methylethyl)-3-(1,2-propadienyl)-2-Oxazolidinone
- IUPAC
- (4R)-3-propa-1,2-dienyl-4-propan-2-yl-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone,4-(1-methylethyl)-3-(1,2-propadienyl)-,(4R)-(9CI)
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
357426-83-6(4R)-4-(1-methylethyl)-3-(1,2-propadienyl)-2-OxazolidinoneDTXSID10476712RefChem:209136DTXCID104275222-Oxazolidinone,4-(1-methylethyl)-3-(1,2-propadienyl)-,(4R)-(4R)-3-propa-1,2-dienyl-4-propan-2-yl-1,3-oxazolidin-2-oneAKOS006325368(4R)-3-Propadienyl-4-(propan-2-yl)-1,3-oxazolidin-2-one(R)-4-Isopropyl-3-(propa-1,2-dienyl)oxazolidin-2-one2-Oxazolidinone, 4-(1-methylethyl)-3-(1,2-propadien-1-yl)-, (4R)-2-Oxazolidinone,4-(1-methylethyl)-3-(1,2-propadienyl)-,(4R)-(9CI)
Database identifiers
- CAS
357426-83-6- PubChem CID
- 12062007
- DTXSID
DTXSID10476712- Nikkaji
- J1.587.757J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 217.5 · 217.5±23.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- -1.73 · -1.73±0.40(Predicted)
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Compound notes
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