oxolane-2,3-diimine

C4H6N2O — CID 67931576

IUPACoxolane-2,3-diimine
SMILES[H]/N=C1\OCC\C1=N/[H]
InChIInChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3+,6-4-
InChIKeyJGNOFTVMMVOYFT-UZNMPDEFSA-N
MW98.10 g/mol
LogP0.40
Rot. Bonds

About oxolane-2,3-diimine

oxolane-2,3-diimine (PubChem CID 67931576) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is oxolane-2,3-diimine.

Molecular Properties

Compound Nameoxolane-2,3-diimine
PubChem CID67931576
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Nameoxolane-2,3-diimine
SMILES[H]/N=C1\OCC\C1=N/[H]
InChIInChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3+,6-4-
InChIKeyJGNOFTVMMVOYFT-UZNMPDEFSA-N
XLogP0.40
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze oxolane-2,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolane-2,3-diimine?
The IUPAC name of oxolane-2,3-diimine (CID 67931576) is oxolane-2,3-diimine.
What is the SMILES notation for oxolane-2,3-diimine?
The canonical SMILES for oxolane-2,3-diimine is [H]/N=C1\OCC\C1=N/[H].
What is the InChIKey of oxolane-2,3-diimine?
The InChIKey is JGNOFTVMMVOYFT-UZNMPDEFSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3+,6-4-.
What are the key properties of oxolane-2,3-diimine?
oxolane-2,3-diimine has a molecular weight of 98.10 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,3-diimine is sourced from PubChem (CID 67931576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).