About N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide (PubChem CID 116846813) has the molecular formula C9H18N2O3
and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide.
Molecular Properties
| Compound Name | N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide |
| PubChem CID | 116846813 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.25 g/mol |
| Exact Mass | 202.13 |
| IUPAC Name | N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide |
| SMILES | CNNC(=O)COCC1CCOCC1 |
| InChI | InChI=1S/C9H18N2O3/c1-10-11-9(12)7-14-6-8-2-4-13-5-3-8/h8,10H,2-7H2,1H3,(H,11,12) |
| InChIKey | BGZUEWAKBCJEFW-UHFFFAOYSA-N |
| XLogP | -0.32 |
| TPSA | 59.59 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.25 |
| LogP ≤ 5 | -0.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide?
The IUPAC name of N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide (CID 116846813) is N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide.
What is the SMILES notation for N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide?
The canonical SMILES for N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide is CNNC(=O)COCC1CCOCC1.
What is the InChIKey of N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide?
The InChIKey is BGZUEWAKBCJEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-11-9(12)7-14-6-8-2-4-13-5-3-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide?
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide has a molecular weight of 202.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide is sourced from PubChem (CID 116846813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).