8-amino-9,10-dioxoanthracene-1-carboxylic acid

C15H9NO4 — CID 10683232

IUPAC8-amino-9,10-dioxoanthracene-1-carboxylic acid
SMILESNc1cccc2c1C(=O)c1c(C(=O)O)cccc1C2=O
InChIInChI=1S/C15H9NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15(19)20/h1-6H,16H2,(H,19,20)
InChIKeyZCGMUWBTFOIKQB-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.74
Rot. Bonds1

About 8-amino-9,10-dioxoanthracene-1-carboxylic acid

8-amino-9,10-dioxoanthracene-1-carboxylic acid (PubChem CID 10683232) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 8-amino-9,10-dioxoanthracene-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-9,10-dioxoanthracene-1-carboxylic acid
PubChem CID10683232
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name8-amino-9,10-dioxoanthracene-1-carboxylic acid
SMILESNc1cccc2c1C(=O)c1c(C(=O)O)cccc1C2=O
InChIInChI=1S/C15H9NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15(19)20/h1-6H,16H2,(H,19,20)
InChIKeyZCGMUWBTFOIKQB-UHFFFAOYSA-N
XLogP1.74
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3,3'-Dicarboxybenzidine
CID 16475
3-Amino-2-naphthoic acid
CID 22244
3-Aminophthalic acid
CID 79490
2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-
CID 6701
1-Nitroanthraquinone-2-carboxylic acid
CID 31413
1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)
CID 81375
2-(2-Aminobenzoyl)benzoic acid
CID 70847
6-Aminonaphthalene-2-carboxylic acid
CID 2733954
Red Violet 2RN Acid Anthraquinone
CID 222169
1,4-Diamino-9,10-dioxoanthracene-2-carboxylic acid
CID 3358745
1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
CID 3126042
Benzoic acid, 5-amino-2-benzoyl-
CID 16548

Frequently Asked Questions

What is the IUPAC name of 8-amino-9,10-dioxoanthracene-1-carboxylic acid?
The IUPAC name of 8-amino-9,10-dioxoanthracene-1-carboxylic acid (CID 10683232) is 8-amino-9,10-dioxoanthracene-1-carboxylic acid.
What is the SMILES notation for 8-amino-9,10-dioxoanthracene-1-carboxylic acid?
The canonical SMILES for 8-amino-9,10-dioxoanthracene-1-carboxylic acid is Nc1cccc2c1C(=O)c1c(C(=O)O)cccc1C2=O.
What is the InChIKey of 8-amino-9,10-dioxoanthracene-1-carboxylic acid?
The InChIKey is ZCGMUWBTFOIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15(19)20/h1-6H,16H2,(H,19,20).
What are the key properties of 8-amino-9,10-dioxoanthracene-1-carboxylic acid?
8-amino-9,10-dioxoanthracene-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-9,10-dioxoanthracene-1-carboxylic acid is sourced from PubChem (CID 10683232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).