ethenyl acetate;oxalonitrile

C6H6N2O2 — CID 174923759

IUPACethenyl acetate;oxalonitrile
SMILESC=COC(C)=O.N#CC#N
InChIInChI=1S/C4H6O2.C2N2/c1-3-6-4(2)5;3-1-2-4/h3H,1H2,2H3;
InChIKeyYDAWPMZJZZMLFG-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.73
Rot. Bonds1

About ethenyl acetate;oxalonitrile

ethenyl acetate;oxalonitrile (PubChem CID 174923759) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is ethenyl acetate;oxalonitrile.

Molecular Properties

Compound Nameethenyl acetate;oxalonitrile
PubChem CID174923759
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Nameethenyl acetate;oxalonitrile
SMILESC=COC(C)=O.N#CC#N
InChIInChI=1S/C4H6O2.C2N2/c1-3-6-4(2)5;3-1-2-4/h3H,1H2,2H3;
InChIKeyYDAWPMZJZZMLFG-UHFFFAOYSA-N
XLogP0.73
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;oxalonitrile?
The IUPAC name of ethenyl acetate;oxalonitrile (CID 174923759) is ethenyl acetate;oxalonitrile.
What is the SMILES notation for ethenyl acetate;oxalonitrile?
The canonical SMILES for ethenyl acetate;oxalonitrile is C=COC(C)=O.N#CC#N.
What is the InChIKey of ethenyl acetate;oxalonitrile?
The InChIKey is YDAWPMZJZZMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2N2/c1-3-6-4(2)5;3-1-2-4/h3H,1H2,2H3;.
What are the key properties of ethenyl acetate;oxalonitrile?
ethenyl acetate;oxalonitrile has a molecular weight of 138.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;oxalonitrile is sourced from PubChem (CID 174923759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).