4-diazonio-2-methylnaphthalen-1-olate

C11H8N2O — CID 12035412

IUPAC4-diazonio-2-methylnaphthalen-1-olate
SMILESCc1cc([N+]#N)c2ccccc2c1[O-]
InChIInChI=1S/C11H8N2O/c1-7-6-10(13-12)8-4-2-3-5-9(8)11(7)14/h2-6H,1H3
InChIKeyFQSGCURFMOZJIX-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.71
Rot. Bonds

About 4-diazonio-2-methylnaphthalen-1-olate

4-diazonio-2-methylnaphthalen-1-olate (PubChem CID 12035412) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-diazonio-2-methylnaphthalen-1-olate.

Molecular Properties

Compound Name4-diazonio-2-methylnaphthalen-1-olate
PubChem CID12035412
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4-diazonio-2-methylnaphthalen-1-olate
SMILESCc1cc([N+]#N)c2ccccc2c1[O-]
InChIInChI=1S/C11H8N2O/c1-7-6-10(13-12)8-4-2-3-5-9(8)11(7)14/h2-6H,1H3
InChIKeyFQSGCURFMOZJIX-UHFFFAOYSA-N
XLogP2.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-diazonio-2-methylnaphthalen-1-olate?
The IUPAC name of 4-diazonio-2-methylnaphthalen-1-olate (CID 12035412) is 4-diazonio-2-methylnaphthalen-1-olate.
What is the SMILES notation for 4-diazonio-2-methylnaphthalen-1-olate?
The canonical SMILES for 4-diazonio-2-methylnaphthalen-1-olate is Cc1cc([N+]#N)c2ccccc2c1[O-].
What is the InChIKey of 4-diazonio-2-methylnaphthalen-1-olate?
The InChIKey is FQSGCURFMOZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-6-10(13-12)8-4-2-3-5-9(8)11(7)14/h2-6H,1H3.
What are the key properties of 4-diazonio-2-methylnaphthalen-1-olate?
4-diazonio-2-methylnaphthalen-1-olate has a molecular weight of 184.20 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazonio-2-methylnaphthalen-1-olate is sourced from PubChem (CID 12035412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).