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

C10H14N2O2 — CID 20574570

IUPAC6-diazo-2,5-diethoxycyclohexa-1,3-diene
SMILESCCOC1=CC(=[N+]=[N-])C(OCC)C=C1
InChIInChI=1S/C10H14N2O2/c1-3-13-8-5-6-10(14-4-2)9(7-8)12-11/h5-7,10H,3-4H2,1-2H3
InChIKeyXYIQIKZJOPKRBW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds4

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

6-diazo-2,5-diethoxycyclohexa-1,3-diene (PubChem CID 20574570) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-diazo-2,5-diethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2,5-diethoxycyclohexa-1,3-diene
PubChem CID20574570
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-diazo-2,5-diethoxycyclohexa-1,3-diene
SMILESCCOC1=CC(=[N+]=[N-])C(OCC)C=C1
InChIInChI=1S/C10H14N2O2/c1-3-13-8-5-6-10(14-4-2)9(7-8)12-11/h5-7,10H,3-4H2,1-2H3
InChIKeyXYIQIKZJOPKRBW-UHFFFAOYSA-N
XLogP1.55
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
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'}

Analyze 6-diazo-2,5-diethoxycyclohexa-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-2,5-diethoxycyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2,5-diethoxycyclohexa-1,3-diene (CID 20574570) is 6-diazo-2,5-diethoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2,5-diethoxycyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2,5-diethoxycyclohexa-1,3-diene is CCOC1=CC(=[N+]=[N-])C(OCC)C=C1.
What is the InChIKey of 6-diazo-2,5-diethoxycyclohexa-1,3-diene?
The InChIKey is XYIQIKZJOPKRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-13-8-5-6-10(14-4-2)9(7-8)12-11/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 6-diazo-2,5-diethoxycyclohexa-1,3-diene?
6-diazo-2,5-diethoxycyclohexa-1,3-diene has a molecular weight of 194.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2,5-diethoxycyclohexa-1,3-diene is sourced from PubChem (CID 20574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).