About (5R)-5-methylpyrrolidine-2,4-dione
(5R)-5-methylpyrrolidine-2,4-dione (PubChem CID 98474157) has the molecular formula C5H7NO2
and a molecular weight of 113.12 g/mol. Its IUPAC name is (5R)-5-methylpyrrolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-5-methylpyrrolidine-2,4-dione |
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| PubChem CID | 98474157 |
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| Molecular Formula | C5H7NO2 |
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| Molecular Weight | 113.12 g/mol |
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| Exact Mass | 113.05 |
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| IUPAC Name | (5R)-5-methylpyrrolidine-2,4-dione |
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| SMILES | C[C@H]1NC(=O)CC1=O |
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| InChI | InChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1 |
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| InChIKey | VKKNQZBZGSFRCA-GSVOUGTGSA-N |
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| XLogP | -0.54 |
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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 | |
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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 | 113.12 |
| LogP ≤ 5 | -0.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5R)-5-methylpyrrolidine-2,4-dione?
The IUPAC name of (5R)-5-methylpyrrolidine-2,4-dione (CID 98474157) is (5R)-5-methylpyrrolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methylpyrrolidine-2,4-dione?
The canonical SMILES for (5R)-5-methylpyrrolidine-2,4-dione is C[C@H]1NC(=O)CC1=O.
What is the InChIKey of (5R)-5-methylpyrrolidine-2,4-dione?
The InChIKey is VKKNQZBZGSFRCA-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1.
What are the key properties of (5R)-5-methylpyrrolidine-2,4-dione?
(5R)-5-methylpyrrolidine-2,4-dione has a molecular weight of 113.12 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 98474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).