About 2-ethenyl-3-methoxybenzamide
2-ethenyl-3-methoxybenzamide (PubChem CID 177056846) has the molecular formula C10H11NO2
and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-ethenyl-3-methoxybenzamide.
Molecular Properties
| Compound Name | 2-ethenyl-3-methoxybenzamide |
| PubChem CID | 177056846 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.20 g/mol |
| Exact Mass | 177.08 |
| IUPAC Name | 2-ethenyl-3-methoxybenzamide |
| SMILES | C=Cc1c(OC)cccc1C(N)=O |
| InChI | InChI=1S/C10H11NO2/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h3-6H,1H2,2H3,(H2,11,12) |
| InChIKey | URCSEKRYECVPNH-UHFFFAOYSA-N |
| XLogP | 1.44 |
| TPSA | 52.32 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 177.20 |
| LogP ≤ 5 | 1.44 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethenyl-3-methoxybenzamide?
The IUPAC name of 2-ethenyl-3-methoxybenzamide (CID 177056846) is 2-ethenyl-3-methoxybenzamide.
What is the SMILES notation for 2-ethenyl-3-methoxybenzamide?
The canonical SMILES for 2-ethenyl-3-methoxybenzamide is C=Cc1c(OC)cccc1C(N)=O.
What is the InChIKey of 2-ethenyl-3-methoxybenzamide?
The InChIKey is URCSEKRYECVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h3-6H,1H2,2H3,(H2,11,12).
What are the key properties of 2-ethenyl-3-methoxybenzamide?
2-ethenyl-3-methoxybenzamide has a molecular weight of 177.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxybenzamide is sourced from PubChem (CID 177056846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).