About (4R)-4-ethynyl-1,3-oxazolidin-2-one
(4R)-4-ethynyl-1,3-oxazolidin-2-one (PubChem CID 71490383) has the molecular formula C5H5NO2
and a molecular weight of 111.10 g/mol. Its IUPAC name is (4R)-4-ethynyl-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (4R)-4-ethynyl-1,3-oxazolidin-2-one |
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| PubChem CID | 71490383 |
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| Molecular Formula | C5H5NO2 |
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| Molecular Weight | 111.10 g/mol |
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| Exact Mass | 111.03 |
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| IUPAC Name | (4R)-4-ethynyl-1,3-oxazolidin-2-one |
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| SMILES | C#C[C@@H]1COC(=O)N1 |
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| InChI | InChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,4H,3H2,(H,6,7)/t4-/m1/s1 |
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| InChIKey | DLZMXGHLIAPYCI-SCSAIBSYSA-N |
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| XLogP | -0.27 |
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| TPSA | 38.33 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 111.10 |
| LogP ≤ 5 | -0.27 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethynyl-1,3-oxazolidin-2-one (CID 71490383) is (4R)-4-ethynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethynyl-1,3-oxazolidin-2-one is C#C[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The InChIKey is DLZMXGHLIAPYCI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,4H,3H2,(H,6,7)/t4-/m1/s1.
What are the key properties of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
(4R)-4-ethynyl-1,3-oxazolidin-2-one has a molecular weight of 111.10 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71490383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).