5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one

C15H12N2O2 — CID 659401

IUPAC5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one
SMILESO=C1c2ccccc2-c2c1nc1c([n+]2[O-])CCCC1
InChIInChI=1S/C15H12N2O2/c18-15-10-6-2-1-5-9(10)14-13(15)16-11-7-3-4-8-12(11)17(14)19/h1-2,5-6H,3-4,7-8H2
InChIKeyPNIKHLCUAKVTMF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.81
Rot. Bonds

About 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one

5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one (PubChem CID 659401) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one.

Molecular Properties

Compound Name5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one
PubChem CID659401
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one
SMILESO=C1c2ccccc2-c2c1nc1c([n+]2[O-])CCCC1
InChIInChI=1S/C15H12N2O2/c18-15-10-6-2-1-5-9(10)14-13(15)16-11-7-3-4-8-12(11)17(14)19/h1-2,5-6H,3-4,7-8H2
InChIKeyPNIKHLCUAKVTMF-UHFFFAOYSA-N
XLogP1.81
TPSA56.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one?
The IUPAC name of 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one (CID 659401) is 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one.
What is the SMILES notation for 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one?
The canonical SMILES for 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one is O=C1c2ccccc2-c2c1nc1c([n+]2[O-])CCCC1.
What is the InChIKey of 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one?
The InChIKey is PNIKHLCUAKVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-10-6-2-1-5-9(10)14-13(15)16-11-7-3-4-8-12(11)17(14)19/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one?
5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one has a molecular weight of 252.27 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-6,7,8,9-tetrahydroindeno[1,2-b]quinoxalin-5-ium-11-one is sourced from PubChem (CID 659401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).