1-diazo-1-ethoxyethane

C4H8N2O — CID 154099379

IUPAC1-diazo-1-ethoxyethane
SMILESCCOC(C)=[N+]=[N-]
InChIInChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H2,1-2H3
InChIKeyMEPWMCNYKBTVTI-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.67
Rot. Bonds1

About 1-diazo-1-ethoxyethane

1-diazo-1-ethoxyethane (PubChem CID 154099379) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-diazo-1-ethoxyethane.

Molecular Properties

Compound Name1-diazo-1-ethoxyethane
PubChem CID154099379
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-diazo-1-ethoxyethane
SMILESCCOC(C)=[N+]=[N-]
InChIInChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H2,1-2H3
InChIKeyMEPWMCNYKBTVTI-UHFFFAOYSA-N
XLogP0.67
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-1-ethoxyethane?
The IUPAC name of 1-diazo-1-ethoxyethane (CID 154099379) is 1-diazo-1-ethoxyethane.
What is the SMILES notation for 1-diazo-1-ethoxyethane?
The canonical SMILES for 1-diazo-1-ethoxyethane is CCOC(C)=[N+]=[N-].
What is the InChIKey of 1-diazo-1-ethoxyethane?
The InChIKey is MEPWMCNYKBTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-7-4(2)6-5/h3H2,1-2H3.
What are the key properties of 1-diazo-1-ethoxyethane?
1-diazo-1-ethoxyethane has a molecular weight of 100.12 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-1-ethoxyethane is sourced from PubChem (CID 154099379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).