About N-cyclohexyl-N-methylprop-2-enamide
N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 10080759) has the molecular formula C10H17NO
and a molecular weight of 167.25 g/mol. Its IUPAC name is N-cyclohexyl-N-methylprop-2-enamide.
Molecular Properties
| Compound Name | N-cyclohexyl-N-methylprop-2-enamide |
| PubChem CID | 10080759 |
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.25 g/mol |
| Exact Mass | 167.13 |
| IUPAC Name | N-cyclohexyl-N-methylprop-2-enamide |
| SMILES | C=CC(=O)N(C)C1CCCCC1 |
| InChI | InChI=1S/C10H17NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h3,9H,1,4-8H2,2H3 |
| InChIKey | LHLLNIZKYYRADT-UHFFFAOYSA-N |
| XLogP | 1.96 |
| TPSA | 20.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 167.25 |
| LogP ≤ 5 | 1.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of N-cyclohexyl-N-methylprop-2-enamide (CID 10080759) is N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-methylprop-2-enamide is C=CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is LHLLNIZKYYRADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h3,9H,1,4-8H2,2H3.
What are the key properties of N-cyclohexyl-N-methylprop-2-enamide?
N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 10080759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).