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

C8H10N2 — CID 54226095

IUPAC5-diazo-2,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(=[N+]=[N-])C=C1C
InChIInChI=1S/C8H10N2/c1-6-3-4-8(10-9)5-7(6)2/h3,5H,4H2,1-2H3
InChIKeyQFYSQRRMZQEGCC-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.95
Rot. Bonds

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

5-diazo-2,3-dimethylcyclohexa-1,3-diene (PubChem CID 54226095) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-diazo-2,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-diazo-2,3-dimethylcyclohexa-1,3-diene
PubChem CID54226095
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-diazo-2,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(=[N+]=[N-])C=C1C
InChIInChI=1S/C8H10N2/c1-6-3-4-8(10-9)5-7(6)2/h3,5H,4H2,1-2H3
InChIKeyQFYSQRRMZQEGCC-UHFFFAOYSA-N
XLogP1.95
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-diazo-2,3-dimethylcyclohexa-1,3-diene (CID 54226095) is 5-diazo-2,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-2,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-2,3-dimethylcyclohexa-1,3-diene is CC1=CCC(=[N+]=[N-])C=C1C.
What is the InChIKey of 5-diazo-2,3-dimethylcyclohexa-1,3-diene?
The InChIKey is QFYSQRRMZQEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-4-8(10-9)5-7(6)2/h3,5H,4H2,1-2H3.
What are the key properties of 5-diazo-2,3-dimethylcyclohexa-1,3-diene?
5-diazo-2,3-dimethylcyclohexa-1,3-diene has a molecular weight of 134.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-2,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 54226095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).