6-diazo-1-methylcyclohexa-1,3-diene

C7H8N2 — CID 87062544

IUPAC6-diazo-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1=[N+]=[N-]
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-4H,5H2,1H3
InChIKeyGGFFTCHYGDBWEV-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 6-diazo-1-methylcyclohexa-1,3-diene

6-diazo-1-methylcyclohexa-1,3-diene (PubChem CID 87062544) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-diazo-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-1-methylcyclohexa-1,3-diene
PubChem CID87062544
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6-diazo-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1=[N+]=[N-]
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-4H,5H2,1H3
InChIKeyGGFFTCHYGDBWEV-UHFFFAOYSA-N
XLogP1.56
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.56
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 6-diazo-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-diazo-1-methylcyclohexa-1,3-diene (CID 87062544) is 6-diazo-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-1-methylcyclohexa-1,3-diene is CC1=CC=CCC1=[N+]=[N-].
What is the InChIKey of 6-diazo-1-methylcyclohexa-1,3-diene?
The InChIKey is GGFFTCHYGDBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-4H,5H2,1H3.
What are the key properties of 6-diazo-1-methylcyclohexa-1,3-diene?
6-diazo-1-methylcyclohexa-1,3-diene has a molecular weight of 120.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 87062544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).