4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid

C7H12N2O2 — CID 54437134

IUPAC4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid
SMILESCC(=CC=NN(C)C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-6(7(10)11)4-5-8-9(2)3/h4-5H,1-3H3,(H,10,11)
InChIKeyWLNLMAFUGROYMF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.56
Rot. Bonds3

About 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid

4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid (PubChem CID 54437134) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid
PubChem CID54437134
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid
SMILESCC(=CC=NN(C)C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-6(7(10)11)4-5-8-9(2)3/h4-5H,1-3H3,(H,10,11)
InChIKeyWLNLMAFUGROYMF-UHFFFAOYSA-N
XLogP0.56
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid?
The IUPAC name of 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid (CID 54437134) is 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid?
The canonical SMILES for 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid is CC(=CC=NN(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid?
The InChIKey is WLNLMAFUGROYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(7(10)11)4-5-8-9(2)3/h4-5H,1-3H3,(H,10,11).
What are the key properties of 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid?
4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid is sourced from PubChem (CID 54437134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).