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

C10H19NO — CID 87710964

IUPAC2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESCC1CCC2CCCCC2[NH+]1[O-]
InChIInChI=1S/C10H19NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h8-11H,2-7H2,1H3
InChIKeyQKNQXDAERDITKA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.11
Rot. Bonds

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

2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (PubChem CID 87710964) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
PubChem CID87710964
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESCC1CCC2CCCCC2[NH+]1[O-]
InChIInChI=1S/C10H19NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h8-11H,2-7H2,1H3
InChIKeyQKNQXDAERDITKA-UHFFFAOYSA-N
XLogP1.11
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The IUPAC name of 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (CID 87710964) is 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.
What is the SMILES notation for 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The canonical SMILES for 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is CC1CCC2CCCCC2[NH+]1[O-].
What is the InChIKey of 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The InChIKey is QKNQXDAERDITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h8-11H,2-7H2,1H3.
What are the key properties of 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium has a molecular weight of 169.27 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is sourced from PubChem (CID 87710964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).