1-aminoanthracene-9,10-dione;molecular nitrogen

C14H9N3O2 — CID 67788391

IUPAC1-aminoanthracene-9,10-dione;molecular nitrogen
SMILESN#N.Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.N2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;1-2/h1-7H,15H2;
InChIKeyDJYPRHNUJLBCDR-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.07
Rot. Bonds

About 1-aminoanthracene-9,10-dione;molecular nitrogen

1-aminoanthracene-9,10-dione;molecular nitrogen (PubChem CID 67788391) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-aminoanthracene-9,10-dione;molecular nitrogen.

Molecular Properties

Compound Name1-aminoanthracene-9,10-dione;molecular nitrogen
PubChem CID67788391
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name1-aminoanthracene-9,10-dione;molecular nitrogen
SMILESN#N.Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.N2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;1-2/h1-7H,15H2;
InChIKeyDJYPRHNUJLBCDR-UHFFFAOYSA-N
XLogP2.07
TPSA107.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoanthracene-9,10-dione;molecular nitrogen?
The IUPAC name of 1-aminoanthracene-9,10-dione;molecular nitrogen (CID 67788391) is 1-aminoanthracene-9,10-dione;molecular nitrogen.
What is the SMILES notation for 1-aminoanthracene-9,10-dione;molecular nitrogen?
The canonical SMILES for 1-aminoanthracene-9,10-dione;molecular nitrogen is N#N.Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-aminoanthracene-9,10-dione;molecular nitrogen?
The InChIKey is DJYPRHNUJLBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.N2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;1-2/h1-7H,15H2;.
What are the key properties of 1-aminoanthracene-9,10-dione;molecular nitrogen?
1-aminoanthracene-9,10-dione;molecular nitrogen has a molecular weight of 251.25 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoanthracene-9,10-dione;molecular nitrogen is sourced from PubChem (CID 67788391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).