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

C9H17NO — CID 18542553

IUPAC1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILES[O-][NH+]1CCCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyONMALIZBPGXWMQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.72
Rot. Bonds

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

1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (PubChem CID 18542553) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.

Molecular Properties

Compound Name1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
PubChem CID18542553
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILES[O-][NH+]1CCCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyONMALIZBPGXWMQ-UHFFFAOYSA-N
XLogP0.72
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium 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 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The IUPAC name of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (CID 18542553) is 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.
What is the SMILES notation for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The canonical SMILES for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is [O-][NH+]1CCCC2CCCCC21.
What is the InChIKey of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The InChIKey is ONMALIZBPGXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2.
What are the key properties of 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium has a molecular weight of 155.24 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is sourced from PubChem (CID 18542553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).