naphthalene-1,2-dione diazide

C10H6N6O2-2 — CID 18668389

IUPACnaphthalene-1,2-dione diazide
SMILESO=C1C=Cc2ccccc2C1=O.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C10H6O2.2N3/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;2*1-3-2/h1-6H;;/q;2*-1
InChIKeyGNWCSWUWMHQEMD-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.20
Rot. Bonds

About naphthalene-1,2-dione diazide

naphthalene-1,2-dione diazide (PubChem CID 18668389) has the molecular formula C10H6N6O2-2 and a molecular weight of 242.20 g/mol. Its IUPAC name is naphthalene-1,2-dione diazide.

Molecular Properties

Compound Namenaphthalene-1,2-dione diazide
PubChem CID18668389
Molecular FormulaC10H6N6O2-2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Namenaphthalene-1,2-dione diazide
SMILESO=C1C=Cc2ccccc2C1=O.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C10H6O2.2N3/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;2*1-3-2/h1-6H;;/q;2*-1
InChIKeyGNWCSWUWMHQEMD-UHFFFAOYSA-N
XLogP3.20
TPSA151.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2-dione diazide?
The IUPAC name of naphthalene-1,2-dione diazide (CID 18668389) is naphthalene-1,2-dione diazide.
What is the SMILES notation for naphthalene-1,2-dione diazide?
The canonical SMILES for naphthalene-1,2-dione diazide is O=C1C=Cc2ccccc2C1=O.[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of naphthalene-1,2-dione diazide?
The InChIKey is GNWCSWUWMHQEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.2N3/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;2*1-3-2/h1-6H;;/q;2*-1.
What are the key properties of naphthalene-1,2-dione diazide?
naphthalene-1,2-dione diazide has a molecular weight of 242.20 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2-dione diazide is sourced from PubChem (CID 18668389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).