About N-ethenyl-2-methylidenepiperidin-3-imine
N-ethenyl-2-methylidenepiperidin-3-imine (PubChem CID 143982879) has the molecular formula C8H12N2
and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethenyl-2-methylidenepiperidin-3-imine.
Molecular Properties
| Compound Name | N-ethenyl-2-methylidenepiperidin-3-imine |
| PubChem CID | 143982879 |
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.20 g/mol |
| Exact Mass | 136.10 |
| IUPAC Name | N-ethenyl-2-methylidenepiperidin-3-imine |
| SMILES | C=C/N=C1\CCCNC1=C |
| InChI | InChI=1S/C8H12N2/c1-3-9-8-5-4-6-10-7(8)2/h3,10H,1-2,4-6H2/b9-8+ |
| InChIKey | VWKKNYGARWWLCP-CMDGGOBGSA-N |
| XLogP | 1.47 |
| TPSA | 24.39 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 136.20 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-ethenyl-2-methylidenepiperidin-3-imine?
The IUPAC name of N-ethenyl-2-methylidenepiperidin-3-imine (CID 143982879) is N-ethenyl-2-methylidenepiperidin-3-imine.
What is the SMILES notation for N-ethenyl-2-methylidenepiperidin-3-imine?
The canonical SMILES for N-ethenyl-2-methylidenepiperidin-3-imine is C=C/N=C1\CCCNC1=C.
What is the InChIKey of N-ethenyl-2-methylidenepiperidin-3-imine?
The InChIKey is VWKKNYGARWWLCP-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-8-5-4-6-10-7(8)2/h3,10H,1-2,4-6H2/b9-8+.
What are the key properties of N-ethenyl-2-methylidenepiperidin-3-imine?
N-ethenyl-2-methylidenepiperidin-3-imine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylidenepiperidin-3-imine is sourced from PubChem (CID 143982879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).