1-(diazomethyl)azulene

C11H8N2 — CID 102580242

IUPAC1-(diazomethyl)azulene
SMILES[N-]=[N+]=Cc1ccc2cccccc1-2
InChIInChI=1S/C11H8N2/c12-13-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H
InChIKeyARHJDTKDAJSYFJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.44
Rot. Bonds1

About 1-(diazomethyl)azulene

1-(diazomethyl)azulene (PubChem CID 102580242) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(diazomethyl)azulene.

Molecular Properties

Compound Name1-(diazomethyl)azulene
PubChem CID102580242
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name1-(diazomethyl)azulene
SMILES[N-]=[N+]=Cc1ccc2cccccc1-2
InChIInChI=1S/C11H8N2/c12-13-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H
InChIKeyARHJDTKDAJSYFJ-UHFFFAOYSA-N
XLogP2.44
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.44
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 1-(diazomethyl)azulene?
The IUPAC name of 1-(diazomethyl)azulene (CID 102580242) is 1-(diazomethyl)azulene.
What is the SMILES notation for 1-(diazomethyl)azulene?
The canonical SMILES for 1-(diazomethyl)azulene is [N-]=[N+]=Cc1ccc2cccccc1-2.
What is the InChIKey of 1-(diazomethyl)azulene?
The InChIKey is ARHJDTKDAJSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c12-13-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H.
What are the key properties of 1-(diazomethyl)azulene?
1-(diazomethyl)azulene has a molecular weight of 168.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)azulene is sourced from PubChem (CID 102580242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).