(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol

C₆H₁₂N₂O — CID 15882620

About (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol

(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol (PubChem CID 15882620) has the molecular formula C₆H₁₂N₂O and a molecular weight of 128.17 g/mol. Its IUPAC name is (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol.

Molecular Properties

• Compound Name: (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
• PubChem CID: 15882620
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.17 g/mol
• Exact Mass: 128.09
• IUPAC Name: (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
• SMILES: C=CC(O)/C=N/N(C)C
• InChI: InChI=1S/C6H12N2O/c1-4-6(9)5-7-8(2)3/h4-6,9H,1H2,2-3H3/b7-5+
• InChIKey: ZYOVVZKJHZKNEX-FNORWQNLSA-N
• XLogP: 0.08
• TPSA: 35.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	128.17
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol?

The IUPAC name of (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol (CID 15882620) is (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol.

What is the SMILES notation for (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol?

The canonical SMILES for (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol is C=CC(O)/C=N/N(C)C.

What is the InChIKey of (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol?

The InChIKey is ZYOVVZKJHZKNEX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(9)5-7-8(2)3/h4-6,9H,1H2,2-3H3/b7-5+.

What are the key properties of (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol?

(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol is sourced from PubChem (CID 15882620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15882620 — identifiers, structure, computed properties (public domain)

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