ethyl 2-(aminohydrazinylidene)acetate

C4H9N3O2 — CID 71365379

IUPACethyl 2-(aminohydrazinylidene)acetate
SMILESCCOC(=O)C=NNN
InChIInChI=1S/C4H9N3O2/c1-2-9-4(8)3-6-7-5/h3,7H,2,5H2,1H3
InChIKeyYALSARYKNGABLL-UHFFFAOYSA-N
MW131.14 g/mol
LogP-1.00
Rot. Bonds3

About ethyl 2-(aminohydrazinylidene)acetate

ethyl 2-(aminohydrazinylidene)acetate (PubChem CID 71365379) has the molecular formula C4H9N3O2 and a molecular weight of 131.14 g/mol. Its IUPAC name is ethyl 2-(aminohydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(aminohydrazinylidene)acetate
PubChem CID71365379
Molecular FormulaC4H9N3O2
Molecular Weight131.14 g/mol
Exact Mass131.07
IUPAC Nameethyl 2-(aminohydrazinylidene)acetate
SMILESCCOC(=O)C=NNN
InChIInChI=1S/C4H9N3O2/c1-2-9-4(8)3-6-7-5/h3,7H,2,5H2,1H3
InChIKeyYALSARYKNGABLL-UHFFFAOYSA-N
XLogP-1.00
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 ethyl 2-(aminohydrazinylidene)acetate?
The IUPAC name of ethyl 2-(aminohydrazinylidene)acetate (CID 71365379) is ethyl 2-(aminohydrazinylidene)acetate.
What is the SMILES notation for ethyl 2-(aminohydrazinylidene)acetate?
The canonical SMILES for ethyl 2-(aminohydrazinylidene)acetate is CCOC(=O)C=NNN.
What is the InChIKey of ethyl 2-(aminohydrazinylidene)acetate?
The InChIKey is YALSARYKNGABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-2-9-4(8)3-6-7-5/h3,7H,2,5H2,1H3.
What are the key properties of ethyl 2-(aminohydrazinylidene)acetate?
ethyl 2-(aminohydrazinylidene)acetate has a molecular weight of 131.14 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminohydrazinylidene)acetate is sourced from PubChem (CID 71365379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).