ethene;oxadiazole

C4H6N2O — CID 68882999

IUPACethene;oxadiazole
SMILESC=C.c1conn1
InChIInChI=1S/C2H2N2O.C2H4/c1-2-5-4-3-1;1-2/h1-2H;1-2H2
InChIKeyHASCKPKZIBPNIV-UHFFFAOYSA-N
MW98.11 g/mol
LogP0.87
Rot. Bonds

About ethene;oxadiazole

ethene;oxadiazole (PubChem CID 68882999) has the molecular formula C4H6N2O and a molecular weight of 98.11 g/mol. Its IUPAC name is ethene;oxadiazole.

Molecular Properties

Compound Nameethene;oxadiazole
PubChem CID68882999
Molecular FormulaC4H6N2O
Molecular Weight98.11 g/mol
Exact Mass98.05
IUPAC Nameethene;oxadiazole
SMILESC=C.c1conn1
InChIInChI=1S/C2H2N2O.C2H4/c1-2-5-4-3-1;1-2/h1-2H;1-2H2
InChIKeyHASCKPKZIBPNIV-UHFFFAOYSA-N
XLogP0.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;oxadiazole?
The IUPAC name of ethene;oxadiazole (CID 68882999) is ethene;oxadiazole.
What is the SMILES notation for ethene;oxadiazole?
The canonical SMILES for ethene;oxadiazole is C=C.c1conn1.
What is the InChIKey of ethene;oxadiazole?
The InChIKey is HASCKPKZIBPNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.C2H4/c1-2-5-4-3-1;1-2/h1-2H;1-2H2.
What are the key properties of ethene;oxadiazole?
ethene;oxadiazole has a molecular weight of 98.11 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;oxadiazole is sourced from PubChem (CID 68882999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).