About 2,3,5,5-tetramethylimidazol-4-one
2,3,5,5-tetramethylimidazol-4-one (PubChem CID 22946856) has the molecular formula C7H12N2O
and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,3,5,5-tetramethylimidazol-4-one.
Molecular Properties
| Compound Name | 2,3,5,5-tetramethylimidazol-4-one |
|---|
| PubChem CID | 22946856 |
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| Molecular Formula | C7H12N2O |
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| Molecular Weight | 140.19 g/mol |
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| Exact Mass | 140.09 |
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| IUPAC Name | 2,3,5,5-tetramethylimidazol-4-one |
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| SMILES | CC1=NC(C)(C)C(=O)N1C |
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| InChI | InChI=1S/C7H12N2O/c1-5-8-7(2,3)6(10)9(5)4/h1-4H3 |
|---|
| InChIKey | VKOQGRKYGYQIGI-UHFFFAOYSA-N |
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| XLogP | 0.66 |
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| TPSA | 32.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 140.19 |
| LogP ≤ 5 | 0.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,3,5,5-tetramethylimidazol-4-one?
The IUPAC name of 2,3,5,5-tetramethylimidazol-4-one (CID 22946856) is 2,3,5,5-tetramethylimidazol-4-one.
What is the SMILES notation for 2,3,5,5-tetramethylimidazol-4-one?
The canonical SMILES for 2,3,5,5-tetramethylimidazol-4-one is CC1=NC(C)(C)C(=O)N1C.
What is the InChIKey of 2,3,5,5-tetramethylimidazol-4-one?
The InChIKey is VKOQGRKYGYQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-8-7(2,3)6(10)9(5)4/h1-4H3.
What are the key properties of 2,3,5,5-tetramethylimidazol-4-one?
2,3,5,5-tetramethylimidazol-4-one has a molecular weight of 140.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethylimidazol-4-one is sourced from PubChem (CID 22946856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).