6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene

C8H10N2O — CID 163590336

IUPAC6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene
SMILESCOC1C=CC(C)=CC1=[N+]=[N-]
InChIInChI=1S/C8H10N2O/c1-6-3-4-8(11-2)7(5-6)10-9/h3-5,8H,1-2H3
InChIKeyGOZWHOUYRBYQGI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.19
Rot. Bonds1

About 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene

6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene (PubChem CID 163590336) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene
PubChem CID163590336
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene
SMILESCOC1C=CC(C)=CC1=[N+]=[N-]
InChIInChI=1S/C8H10N2O/c1-6-3-4-8(11-2)7(5-6)10-9/h3-5,8H,1-2H3
InChIKeyGOZWHOUYRBYQGI-UHFFFAOYSA-N
XLogP1.19
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'}

Analyze 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene?
The IUPAC name of 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene (CID 163590336) is 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene is COC1C=CC(C)=CC1=[N+]=[N-].
What is the InChIKey of 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene?
The InChIKey is GOZWHOUYRBYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-3-4-8(11-2)7(5-6)10-9/h3-5,8H,1-2H3.
What are the key properties of 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene?
6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene has a molecular weight of 150.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-5-methoxy-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).