2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium

C10H13NO — CID 150315927

IUPAC2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium
SMILESCC1C=CC2=CCCCC2=[N+]1[O-]
InChIInChI=1S/C10H13NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h4,6-8H,2-3,5H2,1H3
InChIKeyGMPJGIHTLBWHFN-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.01
Rot. Bonds

About 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium

2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium (PubChem CID 150315927) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium
PubChem CID150315927
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium
SMILESCC1C=CC2=CCCCC2=[N+]1[O-]
InChIInChI=1S/C10H13NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h4,6-8H,2-3,5H2,1H3
InChIKeyGMPJGIHTLBWHFN-UHFFFAOYSA-N
XLogP2.01
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium?
The IUPAC name of 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium (CID 150315927) is 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium.
What is the SMILES notation for 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium?
The canonical SMILES for 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium is CC1C=CC2=CCCCC2=[N+]1[O-].
What is the InChIKey of 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium?
The InChIKey is GMPJGIHTLBWHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium?
2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium has a molecular weight of 163.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium is sourced from PubChem (CID 150315927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).