1-aminooxyxanthen-9-one

C13H9NO3 — CID 163930862

IUPAC1-aminooxyxanthen-9-one
SMILESNOc1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C13H9NO3/c14-17-11-7-3-6-10-12(11)13(15)8-4-1-2-5-9(8)16-10/h1-7H,14H2
InChIKeyRIOOAHGVGSUFMP-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.20
Rot. Bonds1

About 1-aminooxyxanthen-9-one

1-aminooxyxanthen-9-one (PubChem CID 163930862) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-aminooxyxanthen-9-one.

Molecular Properties

Compound Name1-aminooxyxanthen-9-one
PubChem CID163930862
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name1-aminooxyxanthen-9-one
SMILESNOc1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C13H9NO3/c14-17-11-7-3-6-10-12(11)13(15)8-4-1-2-5-9(8)16-10/h1-7H,14H2
InChIKeyRIOOAHGVGSUFMP-UHFFFAOYSA-N
XLogP2.20
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminooxyxanthen-9-one?
The IUPAC name of 1-aminooxyxanthen-9-one (CID 163930862) is 1-aminooxyxanthen-9-one.
What is the SMILES notation for 1-aminooxyxanthen-9-one?
The canonical SMILES for 1-aminooxyxanthen-9-one is NOc1cccc2oc3ccccc3c(=O)c12.
What is the InChIKey of 1-aminooxyxanthen-9-one?
The InChIKey is RIOOAHGVGSUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c14-17-11-7-3-6-10-12(11)13(15)8-4-1-2-5-9(8)16-10/h1-7H,14H2.
What are the key properties of 1-aminooxyxanthen-9-one?
1-aminooxyxanthen-9-one has a molecular weight of 227.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxyxanthen-9-one is sourced from PubChem (CID 163930862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).