ethyl 2-hydrazinylideneacetate

C4H8N2O2 — CID 86202640

IUPACethyl 2-hydrazinylideneacetate
SMILESCCOC(=O)C=NN
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h3H,2,5H2,1H3
InChIKeyJKMKOJBCEVGASO-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.51
Rot. Bonds2

About ethyl 2-hydrazinylideneacetate

ethyl 2-hydrazinylideneacetate (PubChem CID 86202640) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethyl 2-hydrazinylideneacetate.

Molecular Properties

Compound Nameethyl 2-hydrazinylideneacetate
PubChem CID86202640
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameethyl 2-hydrazinylideneacetate
SMILESCCOC(=O)C=NN
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h3H,2,5H2,1H3
InChIKeyJKMKOJBCEVGASO-UHFFFAOYSA-N
XLogP-0.51
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydrazinylideneacetate?
The IUPAC name of ethyl 2-hydrazinylideneacetate (CID 86202640) is ethyl 2-hydrazinylideneacetate.
What is the SMILES notation for ethyl 2-hydrazinylideneacetate?
The canonical SMILES for ethyl 2-hydrazinylideneacetate is CCOC(=O)C=NN.
What is the InChIKey of ethyl 2-hydrazinylideneacetate?
The InChIKey is JKMKOJBCEVGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h3H,2,5H2,1H3.
What are the key properties of ethyl 2-hydrazinylideneacetate?
ethyl 2-hydrazinylideneacetate has a molecular weight of 116.12 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinylideneacetate is sourced from PubChem (CID 86202640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).