5-diazo-6-ethoxycyclohexa-1,3-diene

C8H10N2O — CID 154245909

IUPAC5-diazo-6-ethoxycyclohexa-1,3-diene
SMILESCCOC1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C8H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9/h3-6,8H,2H2,1H3
InChIKeyXHIUHDOVARYSLT-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.19
Rot. Bonds2

About 5-diazo-6-ethoxycyclohexa-1,3-diene

5-diazo-6-ethoxycyclohexa-1,3-diene (PubChem CID 154245909) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-diazo-6-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-diazo-6-ethoxycyclohexa-1,3-diene
PubChem CID154245909
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-diazo-6-ethoxycyclohexa-1,3-diene
SMILESCCOC1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C8H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9/h3-6,8H,2H2,1H3
InChIKeyXHIUHDOVARYSLT-UHFFFAOYSA-N
XLogP1.19
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.19
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-diazo-6-ethoxycyclohexa-1,3-diene?
The IUPAC name of 5-diazo-6-ethoxycyclohexa-1,3-diene (CID 154245909) is 5-diazo-6-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-6-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-6-ethoxycyclohexa-1,3-diene is CCOC1C=CC=CC1=[N+]=[N-].
What is the InChIKey of 5-diazo-6-ethoxycyclohexa-1,3-diene?
The InChIKey is XHIUHDOVARYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9/h3-6,8H,2H2,1H3.
What are the key properties of 5-diazo-6-ethoxycyclohexa-1,3-diene?
5-diazo-6-ethoxycyclohexa-1,3-diene has a molecular weight of 150.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-6-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 154245909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).