1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium

C8H16N2O — CID 18542535

IUPAC1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium
SMILES[O-][NH+]1CCNC2CCCCC21
InChIInChI=1S/C8H16N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h7-10H,1-6H2
InChIKeyQFOLKLFVWAVCTL-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.72
Rot. Bonds

About 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium

1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium (PubChem CID 18542535) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium.

Molecular Properties

Compound Name1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium
PubChem CID18542535
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium
SMILES[O-][NH+]1CCNC2CCCCC21
InChIInChI=1S/C8H16N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h7-10H,1-6H2
InChIKeyQFOLKLFVWAVCTL-UHFFFAOYSA-N
XLogP-0.72
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium?
The IUPAC name of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium (CID 18542535) is 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium.
What is the SMILES notation for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium?
The canonical SMILES for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium is [O-][NH+]1CCNC2CCCCC21.
What is the InChIKey of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium?
The InChIKey is QFOLKLFVWAVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h7-10H,1-6H2.
What are the key properties of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium?
1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium has a molecular weight of 156.23 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium is sourced from PubChem (CID 18542535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).