5-diazo-2-ethoxycyclohexa-1,3-diene

C8H10N2O — CID 54072613

IUPAC5-diazo-2-ethoxycyclohexa-1,3-diene
SMILESCCOC1=CCC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H10N2O/c1-2-11-8-5-3-7(10-9)4-6-8/h3,5-6H,2,4H2,1H3
InChIKeyMHMYMQABTKLGDP-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.54
Rot. Bonds2

About 5-diazo-2-ethoxycyclohexa-1,3-diene

5-diazo-2-ethoxycyclohexa-1,3-diene (PubChem CID 54072613) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-diazo-2-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-diazo-2-ethoxycyclohexa-1,3-diene
PubChem CID54072613
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-diazo-2-ethoxycyclohexa-1,3-diene
SMILESCCOC1=CCC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H10N2O/c1-2-11-8-5-3-7(10-9)4-6-8/h3,5-6H,2,4H2,1H3
InChIKeyMHMYMQABTKLGDP-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-2-ethoxycyclohexa-1,3-diene?
The IUPAC name of 5-diazo-2-ethoxycyclohexa-1,3-diene (CID 54072613) is 5-diazo-2-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-2-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-2-ethoxycyclohexa-1,3-diene is CCOC1=CCC(=[N+]=[N-])C=C1.
What is the InChIKey of 5-diazo-2-ethoxycyclohexa-1,3-diene?
The InChIKey is MHMYMQABTKLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-11-8-5-3-7(10-9)4-6-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-diazo-2-ethoxycyclohexa-1,3-diene?
5-diazo-2-ethoxycyclohexa-1,3-diene has a molecular weight of 150.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-2-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 54072613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).