N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide

C8H5NO5 — CID 163148036

IUPACN-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide
SMILESO=C1OC(=O)c2cc([NH+]([O-])O)ccc21
InChIInChI=1S/C8H5NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3,9,12H
InChIKeyMHTKSIZJYOXNQL-UHFFFAOYSA-N
MW195.13 g/mol
LogP-0.60
Rot. Bonds1

About N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide

N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide (PubChem CID 163148036) has the molecular formula C8H5NO5 and a molecular weight of 195.13 g/mol. Its IUPAC name is N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide.

Molecular Properties

Compound NameN-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide
PubChem CID163148036
Molecular FormulaC8H5NO5
Molecular Weight195.13 g/mol
Exact Mass195.02
IUPAC NameN-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide
SMILESO=C1OC(=O)c2cc([NH+]([O-])O)ccc21
InChIInChI=1S/C8H5NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3,9,12H
InChIKeyMHTKSIZJYOXNQL-UHFFFAOYSA-N
XLogP-0.60
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide?
The IUPAC name of N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide (CID 163148036) is N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide.
What is the SMILES notation for N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide?
The canonical SMILES for N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide is O=C1OC(=O)c2cc([NH+]([O-])O)ccc21.
What is the InChIKey of N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide?
The InChIKey is MHTKSIZJYOXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3,9,12H.
What are the key properties of N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide?
N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide has a molecular weight of 195.13 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,3-dioxo-2-benzofuran-5-amine oxide is sourced from PubChem (CID 163148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).