About 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (PubChem CID 116622203) has the molecular formula C11H16N2O2
and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.
Molecular Properties
| Compound Name | 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one |
| PubChem CID | 116622203 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.26 g/mol |
| Exact Mass | 208.12 |
| IUPAC Name | 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one |
| SMILES | CN1CCOC(Cn2ccc(=O)cc2)C1 |
| InChI | InChI=1S/C11H16N2O2/c1-12-6-7-15-11(8-12)9-13-4-2-10(14)3-5-13/h2-5,11H,6-9H2,1H3 |
| InChIKey | BHJVGBVDSLDJSS-UHFFFAOYSA-N |
| XLogP | 0.18 |
| TPSA | 34.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.26 |
| LogP ≤ 5 | 0.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (CID 116622203) is 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is CN1CCOC(Cn2ccc(=O)cc2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The InChIKey is BHJVGBVDSLDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-6-7-15-11(8-12)9-13-4-2-10(14)3-5-13/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 116622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).