prop-1-enyl methanehydrazonate

C4H8N2O — CID 123249427

IUPACprop-1-enyl methanehydrazonate
SMILESCC=COC=NN
InChIInChI=1S/C4H8N2O/c1-2-3-7-4-6-5/h2-4H,5H2,1H3
InChIKeyOVZAZTPUARSICU-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.44
Rot. Bonds2

About prop-1-enyl methanehydrazonate

prop-1-enyl methanehydrazonate (PubChem CID 123249427) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is prop-1-enyl methanehydrazonate.

Molecular Properties

Compound Nameprop-1-enyl methanehydrazonate
PubChem CID123249427
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameprop-1-enyl methanehydrazonate
SMILESCC=COC=NN
InChIInChI=1S/C4H8N2O/c1-2-3-7-4-6-5/h2-4H,5H2,1H3
InChIKeyOVZAZTPUARSICU-UHFFFAOYSA-N
XLogP0.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 prop-1-enyl methanehydrazonate?
The IUPAC name of prop-1-enyl methanehydrazonate (CID 123249427) is prop-1-enyl methanehydrazonate.
What is the SMILES notation for prop-1-enyl methanehydrazonate?
The canonical SMILES for prop-1-enyl methanehydrazonate is CC=COC=NN.
What is the InChIKey of prop-1-enyl methanehydrazonate?
The InChIKey is OVZAZTPUARSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-7-4-6-5/h2-4H,5H2,1H3.
What are the key properties of prop-1-enyl methanehydrazonate?
prop-1-enyl methanehydrazonate has a molecular weight of 100.12 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl methanehydrazonate is sourced from PubChem (CID 123249427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).