5-diazo-6H-naphthalene-1,4-dione

C10H6N2O2 — CID 23202654

IUPAC5-diazo-6H-naphthalene-1,4-dione
SMILES[N-]=[N+]=C1CC=CC2=C1C(=O)C=CC2=O
InChIInChI=1S/C10H6N2O2/c11-12-7-3-1-2-6-8(13)4-5-9(14)10(6)7/h1-2,4-5H,3H2
InChIKeyOBNZSYLBIYZWFX-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.62
Rot. Bonds

About 5-diazo-6H-naphthalene-1,4-dione

5-diazo-6H-naphthalene-1,4-dione (PubChem CID 23202654) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-diazo-6H-naphthalene-1,4-dione.

Molecular Properties

Compound Name5-diazo-6H-naphthalene-1,4-dione
PubChem CID23202654
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name5-diazo-6H-naphthalene-1,4-dione
SMILES[N-]=[N+]=C1CC=CC2=C1C(=O)C=CC2=O
InChIInChI=1S/C10H6N2O2/c11-12-7-3-1-2-6-8(13)4-5-9(14)10(6)7/h1-2,4-5H,3H2
InChIKeyOBNZSYLBIYZWFX-UHFFFAOYSA-N
XLogP0.62
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 166611148
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CID 17766277
[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
CID 18764876
[(3-Diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038782
(9E)-9-hydrazinylidene-2H-phenalen-1-one
CID 20450517
9-hydrazinylidene-2H-phenalen-1-one
CID 73707662
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
6-Diazocyclohex-3-ene-1,2-dione
CID 88520103
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
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m-Diazoacetophenone
CID 137208588

Frequently Asked Questions

What is the IUPAC name of 5-diazo-6H-naphthalene-1,4-dione?
The IUPAC name of 5-diazo-6H-naphthalene-1,4-dione (CID 23202654) is 5-diazo-6H-naphthalene-1,4-dione.
What is the SMILES notation for 5-diazo-6H-naphthalene-1,4-dione?
The canonical SMILES for 5-diazo-6H-naphthalene-1,4-dione is [N-]=[N+]=C1CC=CC2=C1C(=O)C=CC2=O.
What is the InChIKey of 5-diazo-6H-naphthalene-1,4-dione?
The InChIKey is OBNZSYLBIYZWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-12-7-3-1-2-6-8(13)4-5-9(14)10(6)7/h1-2,4-5H,3H2.
What are the key properties of 5-diazo-6H-naphthalene-1,4-dione?
5-diazo-6H-naphthalene-1,4-dione has a molecular weight of 186.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-6H-naphthalene-1,4-dione is sourced from PubChem (CID 23202654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).