methyl (2E)-2-(dimethylhydrazinylidene)butanoate

C7H14N2O2 — CID 5385097

IUPACmethyl (2E)-2-(dimethylhydrazinylidene)butanoate
SMILESCC/C(=N\N(C)C)C(=O)OC
InChIInChI=1S/C7H14N2O2/c1-5-6(7(10)11-4)8-9(2)3/h5H2,1-4H3/b8-6+
InChIKeyADPMGVFIBYJAAN-SOFGYWHQSA-N
MW158.20 g/mol
LogP0.49
Rot. Bonds3

About methyl (2E)-2-(dimethylhydrazinylidene)butanoate

methyl (2E)-2-(dimethylhydrazinylidene)butanoate (PubChem CID 5385097) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2E)-2-(dimethylhydrazinylidene)butanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(dimethylhydrazinylidene)butanoate
PubChem CID5385097
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (2E)-2-(dimethylhydrazinylidene)butanoate
SMILESCC/C(=N\N(C)C)C(=O)OC
InChIInChI=1S/C7H14N2O2/c1-5-6(7(10)11-4)8-9(2)3/h5H2,1-4H3/b8-6+
InChIKeyADPMGVFIBYJAAN-SOFGYWHQSA-N
XLogP0.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (2E)-2-(dimethylhydrazinylidene)butanoate?
The IUPAC name of methyl (2E)-2-(dimethylhydrazinylidene)butanoate (CID 5385097) is methyl (2E)-2-(dimethylhydrazinylidene)butanoate.
What is the SMILES notation for methyl (2E)-2-(dimethylhydrazinylidene)butanoate?
The canonical SMILES for methyl (2E)-2-(dimethylhydrazinylidene)butanoate is CC/C(=N\N(C)C)C(=O)OC.
What is the InChIKey of methyl (2E)-2-(dimethylhydrazinylidene)butanoate?
The InChIKey is ADPMGVFIBYJAAN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-6(7(10)11-4)8-9(2)3/h5H2,1-4H3/b8-6+.
What are the key properties of methyl (2E)-2-(dimethylhydrazinylidene)butanoate?
methyl (2E)-2-(dimethylhydrazinylidene)butanoate has a molecular weight of 158.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(dimethylhydrazinylidene)butanoate is sourced from PubChem (CID 5385097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).