methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate

C7H14N2O2 — CID 89119310

IUPACmethyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate
SMILESCCN(C)/N=C/CC(=O)OC
InChIInChI=1S/C7H14N2O2/c1-4-9(2)8-6-5-7(10)11-3/h6H,4-5H2,1-3H3/b8-6+
InChIKeyHRVQBUNTTNGPQS-SOFGYWHQSA-N
MW158.20 g/mol
LogP0.49
Rot. Bonds4

About methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate

methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate (PubChem CID 89119310) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Namemethyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate
PubChem CID89119310
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate
SMILESCCN(C)/N=C/CC(=O)OC
InChIInChI=1S/C7H14N2O2/c1-4-9(2)8-6-5-7(10)11-3/h6H,4-5H2,1-3H3/b8-6+
InChIKeyHRVQBUNTTNGPQS-SOFGYWHQSA-N
XLogP0.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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 (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate?
The IUPAC name of methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate (CID 89119310) is methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate.
What is the SMILES notation for methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate?
The canonical SMILES for methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate is CCN(C)/N=C/CC(=O)OC.
What is the InChIKey of methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate?
The InChIKey is HRVQBUNTTNGPQS-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-9(2)8-6-5-7(10)11-3/h6H,4-5H2,1-3H3/b8-6+.
What are the key properties of methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate?
methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate has a molecular weight of 158.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-[ethyl(methyl)hydrazinylidene]propanoate is sourced from PubChem (CID 89119310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).