2-aminoanthracene-1,4-dione

C14H9NO2 — CID 14973111

IUPAC2-aminoanthracene-1,4-dione
SMILESNC1=CC(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H9NO2/c15-12-7-13(16)10-5-8-3-1-2-4-9(8)6-11(10)14(12)17/h1-7H,15H2
InChIKeyCGOQTAJXYMPMGE-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.06
Rot. Bonds

About 2-aminoanthracene-1,4-dione

2-aminoanthracene-1,4-dione (PubChem CID 14973111) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-aminoanthracene-1,4-dione.

Molecular Properties

Compound Name2-aminoanthracene-1,4-dione
PubChem CID14973111
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-aminoanthracene-1,4-dione
SMILESNC1=CC(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H9NO2/c15-12-7-13(16)10-5-8-3-1-2-4-9(8)6-11(10)14(12)17/h1-7H,15H2
InChIKeyCGOQTAJXYMPMGE-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoanthracene-1,4-dione?
The IUPAC name of 2-aminoanthracene-1,4-dione (CID 14973111) is 2-aminoanthracene-1,4-dione.
What is the SMILES notation for 2-aminoanthracene-1,4-dione?
The canonical SMILES for 2-aminoanthracene-1,4-dione is NC1=CC(=O)c2cc3ccccc3cc2C1=O.
What is the InChIKey of 2-aminoanthracene-1,4-dione?
The InChIKey is CGOQTAJXYMPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-12-7-13(16)10-5-8-3-1-2-4-9(8)6-11(10)14(12)17/h1-7H,15H2.
What are the key properties of 2-aminoanthracene-1,4-dione?
2-aminoanthracene-1,4-dione has a molecular weight of 223.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoanthracene-1,4-dione is sourced from PubChem (CID 14973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).