5-diazo-3H-naphthalene-1,2-dione

C10H6N2O2 — CID 141053386

IUPAC5-diazo-3H-naphthalene-1,2-dione
SMILES[N-]=[N+]=C1C=CC=C2C(=O)C(=O)CC=C21
InChIInChI=1S/C10H6N2O2/c11-12-8-3-1-2-7-6(8)4-5-9(13)10(7)14/h1-4H,5H2
InChIKeyZDEBFEGCLRYWEI-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.62
Rot. Bonds

About 5-diazo-3H-naphthalene-1,2-dione

5-diazo-3H-naphthalene-1,2-dione (PubChem CID 141053386) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-diazo-3H-naphthalene-1,2-dione.

Molecular Properties

Compound Name5-diazo-3H-naphthalene-1,2-dione
PubChem CID141053386
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name5-diazo-3H-naphthalene-1,2-dione
SMILES[N-]=[N+]=C1C=CC=C2C(=O)C(=O)CC=C21
InChIInChI=1S/C10H6N2O2/c11-12-8-3-1-2-7-6(8)4-5-9(13)10(7)14/h1-4H,5H2
InChIKeyZDEBFEGCLRYWEI-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': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Bis-imino-acenaphthenequinone
CID 166611148
4,8-Didiazoanthracene-1,5,9,10-tetrone
CID 135082525
[(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
[(3-Diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038783
5-diazo-6H-naphthalene-1,4-dione
CID 23202654
[[4-[[2-[(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-6-oxocyclohexen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 57316600
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-diazo-5-sulfonyl-3H-naphthalen-1-one
CID 88493633
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
2-Diazo-3,5-dihydronaphthalen-1-one;propane
CID 91473845
m-Diazoacetophenone
CID 137208588

Frequently Asked Questions

What is the IUPAC name of 5-diazo-3H-naphthalene-1,2-dione?
The IUPAC name of 5-diazo-3H-naphthalene-1,2-dione (CID 141053386) is 5-diazo-3H-naphthalene-1,2-dione.
What is the SMILES notation for 5-diazo-3H-naphthalene-1,2-dione?
The canonical SMILES for 5-diazo-3H-naphthalene-1,2-dione is [N-]=[N+]=C1C=CC=C2C(=O)C(=O)CC=C21.
What is the InChIKey of 5-diazo-3H-naphthalene-1,2-dione?
The InChIKey is ZDEBFEGCLRYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-12-8-3-1-2-7-6(8)4-5-9(13)10(7)14/h1-4H,5H2.
What are the key properties of 5-diazo-3H-naphthalene-1,2-dione?
5-diazo-3H-naphthalene-1,2-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-3H-naphthalene-1,2-dione is sourced from PubChem (CID 141053386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).