1-aminoanthracene-9,10-dione

C14H9NO2 — CID 6710

IUPAC1-aminoanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
InChIKeyKHUFHLFHOQVFGB-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.04
Rot. Bonds

About 1-aminoanthracene-9,10-dione

1-aminoanthracene-9,10-dione (PubChem CID 6710) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-aminoanthracene-9,10-dione.

Molecular Properties

Compound Name1-aminoanthracene-9,10-dione
PubChem CID6710
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name1-aminoanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
InChIKeyKHUFHLFHOQVFGB-UHFFFAOYSA-N
XLogP2.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoanthracene-9,10-dione?
The IUPAC name of 1-aminoanthracene-9,10-dione (CID 6710) is 1-aminoanthracene-9,10-dione.
What is the SMILES notation for 1-aminoanthracene-9,10-dione?
The canonical SMILES for 1-aminoanthracene-9,10-dione is Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-aminoanthracene-9,10-dione?
The InChIKey is KHUFHLFHOQVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2.
What are the key properties of 1-aminoanthracene-9,10-dione?
1-aminoanthracene-9,10-dione has a molecular weight of 223.23 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoanthracene-9,10-dione is sourced from PubChem (CID 6710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).