6-diazo-2,5-dimethoxycyclohexa-1,3-diene

C8H10N2O2 — CID 20574569

IUPAC6-diazo-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1
InChIInChI=1S/C8H10N2O2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,8H,1-2H3
InChIKeyIJCTVRKUIQWPMC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.77
Rot. Bonds2

About 6-diazo-2,5-dimethoxycyclohexa-1,3-diene

6-diazo-2,5-dimethoxycyclohexa-1,3-diene (PubChem CID 20574569) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-diazo-2,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2,5-dimethoxycyclohexa-1,3-diene
PubChem CID20574569
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-diazo-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1
InChIInChI=1S/C8H10N2O2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,8H,1-2H3
InChIKeyIJCTVRKUIQWPMC-UHFFFAOYSA-N
XLogP0.77
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-diazo-2,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2,5-dimethoxycyclohexa-1,3-diene (CID 20574569) is 6-diazo-2,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2,5-dimethoxycyclohexa-1,3-diene is COC1=CC(=[N+]=[N-])C(OC)C=C1.
What is the InChIKey of 6-diazo-2,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is IJCTVRKUIQWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,8H,1-2H3.
What are the key properties of 6-diazo-2,5-dimethoxycyclohexa-1,3-diene?
6-diazo-2,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 166.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 20574569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).