6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one

C11H11N3O4 — CID 63105926

IUPAC6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(OC3CNC3)cc2N1
InChIInChI=1S/C11H11N3O4/c15-11-2-6-1-9(14(16)17)10(3-8(6)13-11)18-7-4-12-5-7/h1,3,7,12H,2,4-5H2,(H,13,15)
InChIKeyQJXUHOYFQIBRGB-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.44
Rot. Bonds3

About 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one

6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one (PubChem CID 63105926) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
PubChem CID63105926
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(OC3CNC3)cc2N1
InChIInChI=1S/C11H11N3O4/c15-11-2-6-1-9(14(16)17)10(3-8(6)13-11)18-7-4-12-5-7/h1,3,7,12H,2,4-5H2,(H,13,15)
InChIKeyQJXUHOYFQIBRGB-UHFFFAOYSA-N
XLogP0.44
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one (CID 63105926) is 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])c(OC3CNC3)cc2N1.
What is the InChIKey of 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is QJXUHOYFQIBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-11-2-6-1-9(14(16)17)10(3-8(6)13-11)18-7-4-12-5-7/h1,3,7,12H,2,4-5H2,(H,13,15).
What are the key properties of 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one?
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 249.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).