About 1-(2-aminoethyl)-5-phenylpyridin-2-one
1-(2-aminoethyl)-5-phenylpyridin-2-one (PubChem CID 82113594) has the molecular formula C13H14N2O
and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-phenylpyridin-2-one.
Molecular Properties
| Compound Name | 1-(2-aminoethyl)-5-phenylpyridin-2-one |
| PubChem CID | 82113594 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.27 g/mol |
| Exact Mass | 214.11 |
| IUPAC Name | 1-(2-aminoethyl)-5-phenylpyridin-2-one |
| SMILES | NCCn1cc(-c2ccccc2)ccc1=O |
| InChI | InChI=1S/C13H14N2O/c14-8-9-15-10-12(6-7-13(15)16)11-4-2-1-3-5-11/h1-7,10H,8-9,14H2 |
| InChIKey | SAQZUWHJMRPKSZ-UHFFFAOYSA-N |
| XLogP | 1.47 |
| TPSA | 48.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.27 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-aminoethyl)-5-phenylpyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-phenylpyridin-2-one (CID 82113594) is 1-(2-aminoethyl)-5-phenylpyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-phenylpyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-phenylpyridin-2-one is NCCn1cc(-c2ccccc2)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-phenylpyridin-2-one?
The InChIKey is SAQZUWHJMRPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-9-15-10-12(6-7-13(15)16)11-4-2-1-3-5-11/h1-7,10H,8-9,14H2.
What are the key properties of 1-(2-aminoethyl)-5-phenylpyridin-2-one?
1-(2-aminoethyl)-5-phenylpyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-phenylpyridin-2-one is sourced from PubChem (CID 82113594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).