About 1-(4,4-dimethylpentyl)pyridin-2-one
1-(4,4-dimethylpentyl)pyridin-2-one (PubChem CID 162087580) has the molecular formula C12H19NO
and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)pyridin-2-one.
Molecular Properties
| Compound Name | 1-(4,4-dimethylpentyl)pyridin-2-one |
|---|
| PubChem CID | 162087580 |
|---|
| Molecular Formula | C12H19NO |
|---|
| Molecular Weight | 193.29 g/mol |
|---|
| Exact Mass | 193.15 |
|---|
| IUPAC Name | 1-(4,4-dimethylpentyl)pyridin-2-one |
|---|
| SMILES | CC(C)(C)CCCn1ccccc1=O |
|---|
| InChI | InChI=1S/C12H19NO/c1-12(2,3)8-6-10-13-9-5-4-7-11(13)14/h4-5,7,9H,6,8,10H2,1-3H3 |
|---|
| InChIKey | ZDEFPRHERZBJHU-UHFFFAOYSA-N |
|---|
| XLogP | 2.67 |
|---|
| TPSA | 22.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 14 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 193.29 |
| LogP ≤ 5 | 2.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 1-(4,4-dimethylpentyl)pyridin-2-one with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-(4,4-dimethylpentyl)pyridin-2-one?
The IUPAC name of 1-(4,4-dimethylpentyl)pyridin-2-one (CID 162087580) is 1-(4,4-dimethylpentyl)pyridin-2-one.
What is the SMILES notation for 1-(4,4-dimethylpentyl)pyridin-2-one?
The canonical SMILES for 1-(4,4-dimethylpentyl)pyridin-2-one is CC(C)(C)CCCn1ccccc1=O.
What is the InChIKey of 1-(4,4-dimethylpentyl)pyridin-2-one?
The InChIKey is ZDEFPRHERZBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)8-6-10-13-9-5-4-7-11(13)14/h4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpentyl)pyridin-2-one?
1-(4,4-dimethylpentyl)pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)pyridin-2-one is sourced from PubChem (CID 162087580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).