About 2-ethyl-N-prop-2-enylpentanamide
2-ethyl-N-prop-2-enylpentanamide (PubChem CID 143207402) has the molecular formula C10H19NO
and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethyl-N-prop-2-enylpentanamide.
Molecular Properties
| Compound Name | 2-ethyl-N-prop-2-enylpentanamide |
| PubChem CID | 143207402 |
| Molecular Formula | C10H19NO |
| Molecular Weight | 169.27 g/mol |
| Exact Mass | 169.15 |
| IUPAC Name | 2-ethyl-N-prop-2-enylpentanamide |
| SMILES | C=CCNC(=O)C(CC)CCC |
| InChI | InChI=1S/C10H19NO/c1-4-7-9(6-3)10(12)11-8-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,11,12) |
| InChIKey | RXOIEYCHWPVMOT-UHFFFAOYSA-N |
| XLogP | 2.11 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 169.27 |
| LogP ≤ 5 | 2.11 |
| 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-ethyl-N-prop-2-enylpentanamide?
The IUPAC name of 2-ethyl-N-prop-2-enylpentanamide (CID 143207402) is 2-ethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-ethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-ethyl-N-prop-2-enylpentanamide is C=CCNC(=O)C(CC)CCC.
What is the InChIKey of 2-ethyl-N-prop-2-enylpentanamide?
The InChIKey is RXOIEYCHWPVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-9(6-3)10(12)11-8-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,11,12).
What are the key properties of 2-ethyl-N-prop-2-enylpentanamide?
2-ethyl-N-prop-2-enylpentanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 143207402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).