About N-[(2R)-1-oxopropan-2-yl]acetamide
N-[(2R)-1-oxopropan-2-yl]acetamide (PubChem CID 11147694) has the molecular formula C5H9NO2
and a molecular weight of 115.13 g/mol. Its IUPAC name is N-[(2R)-1-oxopropan-2-yl]acetamide.
Molecular Properties
| Compound Name | N-[(2R)-1-oxopropan-2-yl]acetamide |
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| PubChem CID | 11147694 |
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| Molecular Formula | C5H9NO2 |
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| Molecular Weight | 115.13 g/mol |
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| Exact Mass | 115.06 |
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| IUPAC Name | N-[(2R)-1-oxopropan-2-yl]acetamide |
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| SMILES | CC(=O)N[C@H](C)C=O |
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| InChI | InChI=1S/C5H9NO2/c1-4(3-7)6-5(2)8/h3-4H,1-2H3,(H,6,8)/t4-/m1/s1 |
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| InChIKey | HVEBGTPGPHIUJN-SCSAIBSYSA-N |
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| XLogP | -0.29 |
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| TPSA | 46.17 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 |
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| MW ≤ 500 | 115.13 |
| LogP ≤ 5 | -0.29 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2R)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-oxopropan-2-yl]acetamide (CID 11147694) is N-[(2R)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](C)C=O.
What is the InChIKey of N-[(2R)-1-oxopropan-2-yl]acetamide?
The InChIKey is HVEBGTPGPHIUJN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(3-7)6-5(2)8/h3-4H,1-2H3,(H,6,8)/t4-/m1/s1.
What are the key properties of N-[(2R)-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-oxopropan-2-yl]acetamide has a molecular weight of 115.13 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 11147694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).