1-(methyldiazenyl)anthracene-9,10-dione

C15H10N2O2 — CID 58592242

IUPAC1-(methyldiazenyl)anthracene-9,10-dione
SMILESC/N=N/c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O2/c1-16-17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3/b17-16+
InChIKeyRSLCGKLCTGAECR-WUKNDPDISA-N
MW250.26 g/mol
LogP3.18
Rot. Bonds1

About 1-(methyldiazenyl)anthracene-9,10-dione

1-(methyldiazenyl)anthracene-9,10-dione (PubChem CID 58592242) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(methyldiazenyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(methyldiazenyl)anthracene-9,10-dione
PubChem CID58592242
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name1-(methyldiazenyl)anthracene-9,10-dione
SMILESC/N=N/c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O2/c1-16-17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3/b17-16+
InChIKeyRSLCGKLCTGAECR-WUKNDPDISA-N
XLogP3.18
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
CID 168606063
N-[5-[[(9,10-dioxoanthracen-2-yl)-hydroxymethylidene]amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboximidic acid
CID 170848279
1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
CID 15579044
N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide
CID 90673700
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
1-(1-bromoethyl)anthracene-9,10-dione
CID 23511068
1-propan-2-ylsulfanylanthracene-9,10-dione
CID 70427473
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199

Frequently Asked Questions

What is the IUPAC name of 1-(methyldiazenyl)anthracene-9,10-dione?
The IUPAC name of 1-(methyldiazenyl)anthracene-9,10-dione (CID 58592242) is 1-(methyldiazenyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(methyldiazenyl)anthracene-9,10-dione?
The canonical SMILES for 1-(methyldiazenyl)anthracene-9,10-dione is C/N=N/c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(methyldiazenyl)anthracene-9,10-dione?
The InChIKey is RSLCGKLCTGAECR-WUKNDPDISA-N. The full InChI is InChI=1S/C15H10N2O2/c1-16-17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3/b17-16+.
What are the key properties of 1-(methyldiazenyl)anthracene-9,10-dione?
1-(methyldiazenyl)anthracene-9,10-dione has a molecular weight of 250.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldiazenyl)anthracene-9,10-dione is sourced from PubChem (CID 58592242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).