About 2-(1-naphthalen-2-ylethenylamino)oxyethanol
2-(1-naphthalen-2-ylethenylamino)oxyethanol (PubChem CID 57035199) has the molecular formula C14H15NO2
and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylethenylamino)oxyethanol.
Molecular Properties
| Compound Name | 2-(1-naphthalen-2-ylethenylamino)oxyethanol |
| PubChem CID | 57035199 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.28 g/mol |
| Exact Mass | 229.11 |
| IUPAC Name | 2-(1-naphthalen-2-ylethenylamino)oxyethanol |
| SMILES | C=C(NOCCO)c1ccc2ccccc2c1 |
| InChI | InChI=1S/C14H15NO2/c1-11(15-17-9-8-16)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10,15-16H,1,8-9H2 |
| InChIKey | ZXZMVPRDMUQEMD-UHFFFAOYSA-N |
| XLogP | 2.32 |
| TPSA | 41.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 229.28 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(1-naphthalen-2-ylethenylamino)oxyethanol?
The IUPAC name of 2-(1-naphthalen-2-ylethenylamino)oxyethanol (CID 57035199) is 2-(1-naphthalen-2-ylethenylamino)oxyethanol.
What is the SMILES notation for 2-(1-naphthalen-2-ylethenylamino)oxyethanol?
The canonical SMILES for 2-(1-naphthalen-2-ylethenylamino)oxyethanol is C=C(NOCCO)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-naphthalen-2-ylethenylamino)oxyethanol?
The InChIKey is ZXZMVPRDMUQEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11(15-17-9-8-16)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10,15-16H,1,8-9H2.
What are the key properties of 2-(1-naphthalen-2-ylethenylamino)oxyethanol?
2-(1-naphthalen-2-ylethenylamino)oxyethanol has a molecular weight of 229.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylethenylamino)oxyethanol is sourced from PubChem (CID 57035199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).