ethenyl methanehydrazonate

C3H6N2O — CID 123267851

IUPACethenyl methanehydrazonate
SMILESC=COC=NN
InChIInChI=1S/C3H6N2O/c1-2-6-3-5-4/h2-3H,1,4H2
InChIKeyBQOWBJQFDSLKIP-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.05
Rot. Bonds2

About ethenyl methanehydrazonate

ethenyl methanehydrazonate (PubChem CID 123267851) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is ethenyl methanehydrazonate.

Molecular Properties

Compound Nameethenyl methanehydrazonate
PubChem CID123267851
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Nameethenyl methanehydrazonate
SMILESC=COC=NN
InChIInChI=1S/C3H6N2O/c1-2-6-3-5-4/h2-3H,1,4H2
InChIKeyBQOWBJQFDSLKIP-UHFFFAOYSA-N
XLogP0.05
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.05
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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Related Compounds

prop-1-enyl methanehydrazonate
CID 123249427
CID 159014150
CID 159014150
hydroperoxy (1E)-methanehydrazonate
CID 58170408
ethenyl N-(2-amino-2-oxoethyl)methanimidate
CID 88941386
acetylene;ethenoxyethene
CID 175367616
ethenoxyethene;silyloxysilane
CID 173176170
ethenoxyethene;nitroxyl
CID 87932268
ethenoxyethene;prop-1-ene
CID 22912569
carbamodithioic acid;ethenoxyethene
CID 87921170
ethenoxyethene;fluoroethene;hydrofluoride
CID 175297556
1,2-difluoroethane;ethenoxyethene
CID 174631440
ethenoxyethene;propane-1,1-diamine
CID 137499273

Frequently Asked Questions

What is the IUPAC name of ethenyl methanehydrazonate?
The IUPAC name of ethenyl methanehydrazonate (CID 123267851) is ethenyl methanehydrazonate.
What is the SMILES notation for ethenyl methanehydrazonate?
The canonical SMILES for ethenyl methanehydrazonate is C=COC=NN.
What is the InChIKey of ethenyl methanehydrazonate?
The InChIKey is BQOWBJQFDSLKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c1-2-6-3-5-4/h2-3H,1,4H2.
What are the key properties of ethenyl methanehydrazonate?
ethenyl methanehydrazonate has a molecular weight of 86.09 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl methanehydrazonate is sourced from PubChem (CID 123267851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).