3-amino-1-hydroxyanthracene-9,10-dione

C14H9NO3 — CID 23325142

IUPAC3-amino-1-hydroxyanthracene-9,10-dione
SMILESNc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,15H2
InChIKeyGFVDTZAAYDPPDZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.75
Rot. Bonds

About 3-amino-1-hydroxyanthracene-9,10-dione

3-amino-1-hydroxyanthracene-9,10-dione (PubChem CID 23325142) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-amino-1-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name3-amino-1-hydroxyanthracene-9,10-dione
PubChem CID23325142
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-amino-1-hydroxyanthracene-9,10-dione
SMILESNc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,15H2
InChIKeyGFVDTZAAYDPPDZ-UHFFFAOYSA-N
XLogP1.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxyanthracene-9,10-dione?
The IUPAC name of 3-amino-1-hydroxyanthracene-9,10-dione (CID 23325142) is 3-amino-1-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 3-amino-1-hydroxyanthracene-9,10-dione?
The canonical SMILES for 3-amino-1-hydroxyanthracene-9,10-dione is Nc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-amino-1-hydroxyanthracene-9,10-dione?
The InChIKey is GFVDTZAAYDPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,15H2.
What are the key properties of 3-amino-1-hydroxyanthracene-9,10-dione?
3-amino-1-hydroxyanthracene-9,10-dione has a molecular weight of 239.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 23325142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).