About N-(3-methylhept-5-en-2-ylidene)hydroxylamine
N-(3-methylhept-5-en-2-ylidene)hydroxylamine (PubChem CID 170849932) has the molecular formula C8H15NO
and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylhept-5-en-2-ylidene)hydroxylamine.
Molecular Properties
| Compound Name | N-(3-methylhept-5-en-2-ylidene)hydroxylamine |
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| PubChem CID | 170849932 |
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| Molecular Formula | C8H15NO |
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| Molecular Weight | 141.21 g/mol |
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| Exact Mass | 141.12 |
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| IUPAC Name | N-(3-methylhept-5-en-2-ylidene)hydroxylamine |
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| SMILES | CC=CCC(C)C(C)=NO |
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| InChI | InChI=1S/C8H15NO/c1-4-5-6-7(2)8(3)9-10/h4-5,7,10H,6H2,1-3H3 |
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| InChIKey | QQCUEVPKZHCCTC-UHFFFAOYSA-N |
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| XLogP | 2.44 |
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| TPSA | 32.59 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 141.21 |
| LogP ≤ 5 | 2.44 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(3-methylhept-5-en-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-methylhept-5-en-2-ylidene)hydroxylamine (CID 170849932) is N-(3-methylhept-5-en-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methylhept-5-en-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methylhept-5-en-2-ylidene)hydroxylamine is CC=CCC(C)C(C)=NO.
What is the InChIKey of N-(3-methylhept-5-en-2-ylidene)hydroxylamine?
The InChIKey is QQCUEVPKZHCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7(2)8(3)9-10/h4-5,7,10H,6H2,1-3H3.
What are the key properties of N-(3-methylhept-5-en-2-ylidene)hydroxylamine?
N-(3-methylhept-5-en-2-ylidene)hydroxylamine has a molecular weight of 141.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhept-5-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 170849932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).