1-diazoanthracene-2,9,10-trione

C14H6N2O3 — CID 2847693

IUPAC1-diazoanthracene-2,9,10-trione
SMILES[N-]=[N+]=c1c(=O)ccc2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C14H6N2O3/c15-16-12-10(17)6-5-9-11(12)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H
InChIKeyINLHLEQFCWNMOK-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.35
Rot. Bonds

About 1-diazoanthracene-2,9,10-trione

1-diazoanthracene-2,9,10-trione (PubChem CID 2847693) has the molecular formula C14H6N2O3 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-diazoanthracene-2,9,10-trione.

Molecular Properties

Compound Name1-diazoanthracene-2,9,10-trione
PubChem CID2847693
Molecular FormulaC14H6N2O3
Molecular Weight250.21 g/mol
Exact Mass250.04
IUPAC Name1-diazoanthracene-2,9,10-trione
SMILES[N-]=[N+]=c1c(=O)ccc2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C14H6N2O3/c15-16-12-10(17)6-5-9-11(12)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H
InChIKeyINLHLEQFCWNMOK-UHFFFAOYSA-N
XLogP-0.35
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazoanthracene-2,9,10-trione?
The IUPAC name of 1-diazoanthracene-2,9,10-trione (CID 2847693) is 1-diazoanthracene-2,9,10-trione.
What is the SMILES notation for 1-diazoanthracene-2,9,10-trione?
The canonical SMILES for 1-diazoanthracene-2,9,10-trione is [N-]=[N+]=c1c(=O)ccc2c(=O)c3ccccc3c(=O)c1=2.
What is the InChIKey of 1-diazoanthracene-2,9,10-trione?
The InChIKey is INLHLEQFCWNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2O3/c15-16-12-10(17)6-5-9-11(12)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H.
What are the key properties of 1-diazoanthracene-2,9,10-trione?
1-diazoanthracene-2,9,10-trione has a molecular weight of 250.21 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoanthracene-2,9,10-trione is sourced from PubChem (CID 2847693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).