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

C6H12N2O — CID 15882620

IUPAC(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
SMILESC=CC(O)/C=N/N(C)C
InChIInChI=1S/C6H12N2O/c1-4-6(9)5-7-8(2)3/h4-6,9H,1H2,2-3H3/b7-5+
InChIKeyZYOVVZKJHZKNEX-FNORWQNLSA-N
MW128.17 g/mol
LogP0.08
Rot. Bonds3

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 CID15882620
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
SMILESC=CC(O)/C=N/N(C)C
InChIInChI=1S/C6H12N2O/c1-4-6(9)5-7-8(2)3/h4-6,9H,1H2,2-3H3/b7-5+
InChIKeyZYOVVZKJHZKNEX-FNORWQNLSA-N
XLogP0.08
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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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).