About N-[(2S)-1-oxopentan-2-yl]formamide
N-[(2S)-1-oxopentan-2-yl]formamide (PubChem CID 55298773) has the molecular formula C6H11NO2
and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(2S)-1-oxopentan-2-yl]formamide.
Molecular Properties
| Compound Name | N-[(2S)-1-oxopentan-2-yl]formamide |
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| PubChem CID | 55298773 |
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| Molecular Formula | C6H11NO2 |
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| Molecular Weight | 129.16 g/mol |
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| Exact Mass | 129.08 |
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| IUPAC Name | N-[(2S)-1-oxopentan-2-yl]formamide |
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| SMILES | CCC[C@@H](C=O)NC=O |
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| InChI | InChI=1S/C6H11NO2/c1-2-3-6(4-8)7-5-9/h4-6H,2-3H2,1H3,(H,7,9)/t6-/m0/s1 |
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| InChIKey | XGPWJYIVQOZZQT-LURJTMIESA-N |
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| XLogP | 0.10 |
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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 | 5 |
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| Heavy Atoms | 9 |
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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 | 129.16 |
| LogP ≤ 5 | 0.10 |
| 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-[(2S)-1-oxopentan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-oxopentan-2-yl]formamide (CID 55298773) is N-[(2S)-1-oxopentan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-oxopentan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-oxopentan-2-yl]formamide is CCC[C@@H](C=O)NC=O.
What is the InChIKey of N-[(2S)-1-oxopentan-2-yl]formamide?
The InChIKey is XGPWJYIVQOZZQT-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-6(4-8)7-5-9/h4-6H,2-3H2,1H3,(H,7,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-oxopentan-2-yl]formamide?
N-[(2S)-1-oxopentan-2-yl]formamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxopentan-2-yl]formamide is sourced from PubChem (CID 55298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).