About 1-(2,2-dimethylpropanoyl)azocan-2-one
1-(2,2-dimethylpropanoyl)azocan-2-one (PubChem CID 101131585) has the molecular formula C12H21NO2
and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)azocan-2-one.
Molecular Properties
| Compound Name | 1-(2,2-dimethylpropanoyl)azocan-2-one |
|---|
| PubChem CID | 101131585 |
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| Molecular Formula | C12H21NO2 |
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| Molecular Weight | 211.30 g/mol |
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| Exact Mass | 211.16 |
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| IUPAC Name | 1-(2,2-dimethylpropanoyl)azocan-2-one |
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| SMILES | CC(C)(C)C(=O)N1CCCCCCC1=O |
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| InChI | InChI=1S/C12H21NO2/c1-12(2,3)11(15)13-9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3 |
|---|
| InChIKey | DVIMOFKABNCTLP-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 37.38 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 | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 211.30 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2,2-dimethylpropanoyl)azocan-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)azocan-2-one (CID 101131585) is 1-(2,2-dimethylpropanoyl)azocan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)azocan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)azocan-2-one is CC(C)(C)C(=O)N1CCCCCCC1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)azocan-2-one?
The InChIKey is DVIMOFKABNCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(15)13-9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)azocan-2-one?
1-(2,2-dimethylpropanoyl)azocan-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)azocan-2-one is sourced from PubChem (CID 101131585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).