1-(diazomethyl)-2-methylbenzene

C8H8N2 — CID 12764492

IUPAC1-(diazomethyl)-2-methylbenzene
SMILESCc1ccccc1C=[N+]=[N-]
InChIInChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3
InChIKeySATZKZRGXNAHHL-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.64
Rot. Bonds1

About 1-(diazomethyl)-2-methylbenzene

1-(diazomethyl)-2-methylbenzene (PubChem CID 12764492) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-(diazomethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(diazomethyl)-2-methylbenzene
PubChem CID12764492
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-(diazomethyl)-2-methylbenzene
SMILESCc1ccccc1C=[N+]=[N-]
InChIInChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3
InChIKeySATZKZRGXNAHHL-UHFFFAOYSA-N
XLogP1.64
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.64
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)-2-methylbenzene?
The IUPAC name of 1-(diazomethyl)-2-methylbenzene (CID 12764492) is 1-(diazomethyl)-2-methylbenzene.
What is the SMILES notation for 1-(diazomethyl)-2-methylbenzene?
The canonical SMILES for 1-(diazomethyl)-2-methylbenzene is Cc1ccccc1C=[N+]=[N-].
What is the InChIKey of 1-(diazomethyl)-2-methylbenzene?
The InChIKey is SATZKZRGXNAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3.
What are the key properties of 1-(diazomethyl)-2-methylbenzene?
1-(diazomethyl)-2-methylbenzene has a molecular weight of 132.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)-2-methylbenzene is sourced from PubChem (CID 12764492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).