2-amino-1,4-dihydroxyanthracene-9,10-dione

C14H9NO4 — CID 10264328

IUPAC2-amino-1,4-dihydroxyanthracene-9,10-dione
SMILESNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H,15H2
InChIKeyRVKNAJFYQBIAHS-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.46
Rot. Bonds

About 2-amino-1,4-dihydroxyanthracene-9,10-dione

2-amino-1,4-dihydroxyanthracene-9,10-dione (PubChem CID 10264328) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-amino-1,4-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-amino-1,4-dihydroxyanthracene-9,10-dione
PubChem CID10264328
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-amino-1,4-dihydroxyanthracene-9,10-dione
SMILESNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H,15H2
InChIKeyRVKNAJFYQBIAHS-UHFFFAOYSA-N
XLogP1.46
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-dihydroxyanthracene-9,10-dione?
The IUPAC name of 2-amino-1,4-dihydroxyanthracene-9,10-dione (CID 10264328) is 2-amino-1,4-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-amino-1,4-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 2-amino-1,4-dihydroxyanthracene-9,10-dione is Nc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-amino-1,4-dihydroxyanthracene-9,10-dione?
The InChIKey is RVKNAJFYQBIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H,15H2.
What are the key properties of 2-amino-1,4-dihydroxyanthracene-9,10-dione?
2-amino-1,4-dihydroxyanthracene-9,10-dione has a molecular weight of 255.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 10264328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).