N,N'-dimethylethane-1,2-diimine oxide

C4H8N2O2 — CID 139226134

IUPACN,N'-dimethylethane-1,2-diimine oxide
SMILESC/[N+]([O-])=C/C=[N+](\C)[O-]
InChIInChI=1S/C4H8N2O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b5-3-,6-4+
InChIKeyYXBCGUBVMKYAEU-CIIODKQPSA-N
MW116.12 g/mol
LogP-0.59
Rot. Bonds1

About N,N'-dimethylethane-1,2-diimine oxide

N,N'-dimethylethane-1,2-diimine oxide (PubChem CID 139226134) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N,N'-dimethylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dimethylethane-1,2-diimine oxide
PubChem CID139226134
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN,N'-dimethylethane-1,2-diimine oxide
SMILESC/[N+]([O-])=C/C=[N+](\C)[O-]
InChIInChI=1S/C4H8N2O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b5-3-,6-4+
InChIKeyYXBCGUBVMKYAEU-CIIODKQPSA-N
XLogP-0.59
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dimethylethane-1,2-diimine oxide (CID 139226134) is N,N'-dimethylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dimethylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dimethylethane-1,2-diimine oxide is C/[N+]([O-])=C/C=[N+](\C)[O-].
What is the InChIKey of N,N'-dimethylethane-1,2-diimine oxide?
The InChIKey is YXBCGUBVMKYAEU-CIIODKQPSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b5-3-,6-4+.
What are the key properties of N,N'-dimethylethane-1,2-diimine oxide?
N,N'-dimethylethane-1,2-diimine oxide has a molecular weight of 116.12 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylethane-1,2-diimine oxide is sourced from PubChem (CID 139226134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).