(2E)-2-(dimethylhydrazinylidene)butanoic acid

C6H12N2O2 — CID 50989845

IUPAC(2E)-2-(dimethylhydrazinylidene)butanoic acid
SMILESCC/C(=N\N(C)C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4-5(6(9)10)7-8(2)3/h4H2,1-3H3,(H,9,10)/b7-5+
InChIKeyCFMNJCGDGYJOKY-FNORWQNLSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds3

About (2E)-2-(dimethylhydrazinylidene)butanoic acid

(2E)-2-(dimethylhydrazinylidene)butanoic acid (PubChem CID 50989845) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)butanoic acid.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)butanoic acid
PubChem CID50989845
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2E)-2-(dimethylhydrazinylidene)butanoic acid
SMILESCC/C(=N\N(C)C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4-5(6(9)10)7-8(2)3/h4H2,1-3H3,(H,9,10)/b7-5+
InChIKeyCFMNJCGDGYJOKY-FNORWQNLSA-N
XLogP0.40
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2E)-2-(dimethylhydrazinylidene)butanoic acid?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)butanoic acid (CID 50989845) is (2E)-2-(dimethylhydrazinylidene)butanoic acid.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)butanoic acid?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)butanoic acid is CC/C(=N\N(C)C)C(=O)O.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)butanoic acid?
The InChIKey is CFMNJCGDGYJOKY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(6(9)10)7-8(2)3/h4H2,1-3H3,(H,9,10)/b7-5+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)butanoic acid?
(2E)-2-(dimethylhydrazinylidene)butanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)butanoic acid is sourced from PubChem (CID 50989845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).