ethane;methanediazonium;toluene

C10H17N2+ — CID 90824438

IUPACethane;methanediazonium;toluene
SMILESCC.C[N+]#N.Cc1ccccc1
InChIInChI=1S/C7H8.C2H6.CH3N2/c1-7-5-3-2-4-6-7;1-2;1-3-2/h2-6H,1H3;1-2H3;1H3/q;;+1
InChIKeyICIXGRNARILLTC-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.49
Rot. Bonds

About ethane;methanediazonium;toluene

ethane;methanediazonium;toluene (PubChem CID 90824438) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is ethane;methanediazonium;toluene.

Molecular Properties

Compound Nameethane;methanediazonium;toluene
PubChem CID90824438
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Nameethane;methanediazonium;toluene
SMILESCC.C[N+]#N.Cc1ccccc1
InChIInChI=1S/C7H8.C2H6.CH3N2/c1-7-5-3-2-4-6-7;1-2;1-3-2/h2-6H,1H3;1-2H3;1H3/q;;+1
InChIKeyICIXGRNARILLTC-UHFFFAOYSA-N
XLogP3.49
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methanediazonium;toluene?
The IUPAC name of ethane;methanediazonium;toluene (CID 90824438) is ethane;methanediazonium;toluene.
What is the SMILES notation for ethane;methanediazonium;toluene?
The canonical SMILES for ethane;methanediazonium;toluene is CC.C[N+]#N.Cc1ccccc1.
What is the InChIKey of ethane;methanediazonium;toluene?
The InChIKey is ICIXGRNARILLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H6.CH3N2/c1-7-5-3-2-4-6-7;1-2;1-3-2/h2-6H,1H3;1-2H3;1H3/q;;+1.
What are the key properties of ethane;methanediazonium;toluene?
ethane;methanediazonium;toluene has a molecular weight of 165.26 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanediazonium;toluene is sourced from PubChem (CID 90824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).