About 3-methyl-1,3-diazinan-4-one
3-methyl-1,3-diazinan-4-one (PubChem CID 45033304) has the molecular formula C5H10N2O
and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-methyl-1,3-diazinan-4-one.
Molecular Properties
| Compound Name | 3-methyl-1,3-diazinan-4-one |
|---|
| PubChem CID | 45033304 |
|---|
| Molecular Formula | C5H10N2O |
|---|
| Molecular Weight | 114.15 g/mol |
|---|
| Exact Mass | 114.08 |
|---|
| IUPAC Name | 3-methyl-1,3-diazinan-4-one |
|---|
| SMILES | CN1CNCCC1=O |
|---|
| InChI | InChI=1S/C5H10N2O/c1-7-4-6-3-2-5(7)8/h6H,2-4H2,1H3 |
|---|
| InChIKey | SDNMWRUIDYBVBO-UHFFFAOYSA-N |
|---|
| XLogP | -0.60 |
|---|
| TPSA | 32.34 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 114.15 |
| LogP ≤ 5 | -0.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-methyl-1,3-diazinan-4-one?
The IUPAC name of 3-methyl-1,3-diazinan-4-one (CID 45033304) is 3-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 3-methyl-1,3-diazinan-4-one?
The canonical SMILES for 3-methyl-1,3-diazinan-4-one is CN1CNCCC1=O.
What is the InChIKey of 3-methyl-1,3-diazinan-4-one?
The InChIKey is SDNMWRUIDYBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-4-6-3-2-5(7)8/h6H,2-4H2,1H3.
What are the key properties of 3-methyl-1,3-diazinan-4-one?
3-methyl-1,3-diazinan-4-one has a molecular weight of 114.15 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 45033304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).