About N-[(E)-2-methoxyethenyl]propan-1-imine
N-[(E)-2-methoxyethenyl]propan-1-imine (PubChem CID 122544463) has the molecular formula C6H11NO
and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(E)-2-methoxyethenyl]propan-1-imine.
Molecular Properties
| Compound Name | N-[(E)-2-methoxyethenyl]propan-1-imine |
|---|
| PubChem CID | 122544463 |
|---|
| Molecular Formula | C6H11NO |
|---|
| Molecular Weight | 113.16 g/mol |
|---|
| Exact Mass | 113.08 |
|---|
| IUPAC Name | N-[(E)-2-methoxyethenyl]propan-1-imine |
|---|
| SMILES | CC/C=N/C=C/OC |
|---|
| InChI | InChI=1S/C6H11NO/c1-3-4-7-5-6-8-2/h4-6H,3H2,1-2H3/b6-5+,7-4+ |
|---|
| InChIKey | UFHICVVDOGGRHF-HVUXDCMCSA-N |
|---|
| XLogP | 1.58 |
|---|
| TPSA | 21.59 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 113.16 |
| LogP ≤ 5 | 1.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze N-[(E)-2-methoxyethenyl]propan-1-imine 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 N-[(E)-2-methoxyethenyl]propan-1-imine?
The IUPAC name of N-[(E)-2-methoxyethenyl]propan-1-imine (CID 122544463) is N-[(E)-2-methoxyethenyl]propan-1-imine.
What is the SMILES notation for N-[(E)-2-methoxyethenyl]propan-1-imine?
The canonical SMILES for N-[(E)-2-methoxyethenyl]propan-1-imine is CC/C=N/C=C/OC.
What is the InChIKey of N-[(E)-2-methoxyethenyl]propan-1-imine?
The InChIKey is UFHICVVDOGGRHF-HVUXDCMCSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-7-5-6-8-2/h4-6H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of N-[(E)-2-methoxyethenyl]propan-1-imine?
N-[(E)-2-methoxyethenyl]propan-1-imine has a molecular weight of 113.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methoxyethenyl]propan-1-imine is sourced from PubChem (CID 122544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).