C12H15NO2 — CID 21234019
(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 21234019) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
| Compound Name | (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine |
|---|---|
| PubChem CID | 21234019 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.26 g/mol |
| Exact Mass | 205.11 |
| IUPAC Name | (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine |
| SMILES | COc1ccc2c(c1C)CCC/C2=N/O |
| InChI | InChI=1S/C12H15NO2/c1-8-9-4-3-5-11(13-14)10(9)6-7-12(8)15-2/h6-7,14H,3-5H2,1-2H3/b13-11- |
| InChIKey | WKNALINBNWMIOZ-QBFSEMIESA-N |
| XLogP | 2.52 |
| TPSA | 41.82 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 205.26 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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