2-aminobenzo[f][1]benzofuran-4,9-dione

C12H7NO3 — CID 123549190

IUPAC2-aminobenzo[f][1]benzofuran-4,9-dione
SMILESNc1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C12H7NO3/c13-9-5-8-10(14)6-3-1-2-4-7(6)11(15)12(8)16-9/h1-5H,13H2
InChIKeyULSZDXXIESYKCL-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.64
Rot. Bonds

About 2-aminobenzo[f][1]benzofuran-4,9-dione

2-aminobenzo[f][1]benzofuran-4,9-dione (PubChem CID 123549190) has the molecular formula C12H7NO3 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-aminobenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-aminobenzo[f][1]benzofuran-4,9-dione
PubChem CID123549190
Molecular FormulaC12H7NO3
Molecular Weight213.19 g/mol
Exact Mass213.04
IUPAC Name2-aminobenzo[f][1]benzofuran-4,9-dione
SMILESNc1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C12H7NO3/c13-9-5-8-10(14)6-3-1-2-4-7(6)11(15)12(8)16-9/h1-5H,13H2
InChIKeyULSZDXXIESYKCL-UHFFFAOYSA-N
XLogP1.64
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,9-dioxobenzo[f][1]benzofuran-2-carboxylic acid
CID 58260130
2-(trifluoromethylsulfonyl)benzo[f][1]benzofuran-4,9-dione
CID 56847535
2-(4-nitrophenyl)benzo[f][1]benzofuran-4,9-dione
CID 14592583
CID 158261979
CID 158261979
CID 66807709
CID 66807709
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
lithium;anthracene-9,10-dione;hydride
CID 174683199
2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione
CID 10858879
(E)-3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)prop-2-enoic acid
CID 66561261
2-hexadecylbenzo[f][1]benzofuran-4,9-dione
CID 134542826
2,3-diaminonaphthalene-1,4-dione
CID 4167268

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-aminobenzo[f][1]benzofuran-4,9-dione (CID 123549190) is 2-aminobenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-aminobenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-aminobenzo[f][1]benzofuran-4,9-dione is Nc1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-aminobenzo[f][1]benzofuran-4,9-dione?
The InChIKey is ULSZDXXIESYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3/c13-9-5-8-10(14)6-3-1-2-4-7(6)11(15)12(8)16-9/h1-5H,13H2.
What are the key properties of 2-aminobenzo[f][1]benzofuran-4,9-dione?
2-aminobenzo[f][1]benzofuran-4,9-dione has a molecular weight of 213.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 123549190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).