About 2-naphthalen-1-yl-N-prop-2-enylacetamide
2-naphthalen-1-yl-N-prop-2-enylacetamide (PubChem CID 60636686) has the molecular formula C15H15NO
and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-prop-2-enylacetamide.
Molecular Properties
| Compound Name | 2-naphthalen-1-yl-N-prop-2-enylacetamide |
| PubChem CID | 60636686 |
| Molecular Formula | C15H15NO |
| Molecular Weight | 225.29 g/mol |
| Exact Mass | 225.12 |
| IUPAC Name | 2-naphthalen-1-yl-N-prop-2-enylacetamide |
| SMILES | C=CCNC(=O)Cc1cccc2ccccc12 |
| InChI | InChI=1S/C15H15NO/c1-2-10-16-15(17)11-13-8-5-7-12-6-3-4-9-14(12)13/h2-9H,1,10-11H2,(H,16,17) |
| InChIKey | MATNTUOSBUFQMX-UHFFFAOYSA-N |
| XLogP | 2.68 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.29 |
| LogP ≤ 5 | 2.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-naphthalen-1-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-naphthalen-1-yl-N-prop-2-enylacetamide (CID 60636686) is 2-naphthalen-1-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-prop-2-enylacetamide is C=CCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-prop-2-enylacetamide?
The InChIKey is MATNTUOSBUFQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-10-16-15(17)11-13-8-5-7-12-6-3-4-9-14(12)13/h2-9H,1,10-11H2,(H,16,17).
What are the key properties of 2-naphthalen-1-yl-N-prop-2-enylacetamide?
2-naphthalen-1-yl-N-prop-2-enylacetamide has a molecular weight of 225.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 60636686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).