7-aminocyclobuta[b][1]benzofuran-1,2-dione

C10H5NO3 — CID 19417821

IUPAC7-aminocyclobuta[b][1]benzofuran-1,2-dione
SMILESNc1cccc2oc3c(=O)c(=O)c3c12
InChIInChI=1S/C10H5NO3/c11-4-2-1-3-5-6(4)7-8(12)9(13)10(7)14-5/h1-3H,11H2
InChIKeyJGEYGYGKVOHEHP-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.76
Rot. Bonds

About 7-aminocyclobuta[b][1]benzofuran-1,2-dione

7-aminocyclobuta[b][1]benzofuran-1,2-dione (PubChem CID 19417821) has the molecular formula C10H5NO3 and a molecular weight of 187.15 g/mol. Its IUPAC name is 7-aminocyclobuta[b][1]benzofuran-1,2-dione.

Molecular Properties

Compound Name7-aminocyclobuta[b][1]benzofuran-1,2-dione
PubChem CID19417821
Molecular FormulaC10H5NO3
Molecular Weight187.15 g/mol
Exact Mass187.03
IUPAC Name7-aminocyclobuta[b][1]benzofuran-1,2-dione
SMILESNc1cccc2oc3c(=O)c(=O)c3c12
InChIInChI=1S/C10H5NO3/c11-4-2-1-3-5-6(4)7-8(12)9(13)10(7)14-5/h1-3H,11H2
InChIKeyJGEYGYGKVOHEHP-UHFFFAOYSA-N
XLogP0.76
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-aminocyclobuta[b][1]benzofuran-1,2-dione?
The IUPAC name of 7-aminocyclobuta[b][1]benzofuran-1,2-dione (CID 19417821) is 7-aminocyclobuta[b][1]benzofuran-1,2-dione.
What is the SMILES notation for 7-aminocyclobuta[b][1]benzofuran-1,2-dione?
The canonical SMILES for 7-aminocyclobuta[b][1]benzofuran-1,2-dione is Nc1cccc2oc3c(=O)c(=O)c3c12.
What is the InChIKey of 7-aminocyclobuta[b][1]benzofuran-1,2-dione?
The InChIKey is JGEYGYGKVOHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO3/c11-4-2-1-3-5-6(4)7-8(12)9(13)10(7)14-5/h1-3H,11H2.
What are the key properties of 7-aminocyclobuta[b][1]benzofuran-1,2-dione?
7-aminocyclobuta[b][1]benzofuran-1,2-dione has a molecular weight of 187.15 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminocyclobuta[b][1]benzofuran-1,2-dione is sourced from PubChem (CID 19417821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).