ethenyl (1Z)-ethanehydrazonate

C4H8N2O — CID 89286561

IUPACethenyl (1Z)-ethanehydrazonate
SMILESC=CO/C(C)=N\N
InChIInChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H,1,5H2,2H3/b6-4-
InChIKeyHXHVDXWDGHMRRD-XQRVVYSFSA-N
MW100.12 g/mol
LogP0.44
Rot. Bonds1

About ethenyl (1Z)-ethanehydrazonate

ethenyl (1Z)-ethanehydrazonate (PubChem CID 89286561) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is ethenyl (1Z)-ethanehydrazonate.

Molecular Properties

Compound Nameethenyl (1Z)-ethanehydrazonate
PubChem CID89286561
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameethenyl (1Z)-ethanehydrazonate
SMILESC=CO/C(C)=N\N
InChIInChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H,1,5H2,2H3/b6-4-
InChIKeyHXHVDXWDGHMRRD-XQRVVYSFSA-N
XLogP0.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 ethenyl (1Z)-ethanehydrazonate?
The IUPAC name of ethenyl (1Z)-ethanehydrazonate (CID 89286561) is ethenyl (1Z)-ethanehydrazonate.
What is the SMILES notation for ethenyl (1Z)-ethanehydrazonate?
The canonical SMILES for ethenyl (1Z)-ethanehydrazonate is C=CO/C(C)=N\N.
What is the InChIKey of ethenyl (1Z)-ethanehydrazonate?
The InChIKey is HXHVDXWDGHMRRD-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H,1,5H2,2H3/b6-4-.
What are the key properties of ethenyl (1Z)-ethanehydrazonate?
ethenyl (1Z)-ethanehydrazonate has a molecular weight of 100.12 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (1Z)-ethanehydrazonate is sourced from PubChem (CID 89286561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).