2-methyl-1-oxidopyridin-1-ium;propane

C9H15NO — CID 91172526

IUPAC2-methyl-1-oxidopyridin-1-ium;propane
SMILESCCC.Cc1cccc[n+]1[O-]
InChIInChI=1S/C6H7NO.C3H8/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5H,1H3;3H2,1-2H3
InChIKeyBVGALBPRRYWXOF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.04
Rot. Bonds

About 2-methyl-1-oxidopyridin-1-ium;propane

2-methyl-1-oxidopyridin-1-ium;propane (PubChem CID 91172526) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-1-oxidopyridin-1-ium;propane.

Molecular Properties

Compound Name2-methyl-1-oxidopyridin-1-ium;propane
PubChem CID91172526
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-1-oxidopyridin-1-ium;propane
SMILESCCC.Cc1cccc[n+]1[O-]
InChIInChI=1S/C6H7NO.C3H8/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5H,1H3;3H2,1-2H3
InChIKeyBVGALBPRRYWXOF-UHFFFAOYSA-N
XLogP2.04
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-oxidopyridin-1-ium;pyridine
CID 160954375
1,1-dioxo-1,2-benzothiazol-3-one;2-methyl-1-oxidopyridin-1-ium
CID 139186753
2-methyl-1-propylpyridin-1-ium
CID 3808515
2-(4-methylphenyl)-1-oxidopyridin-1-ium
CID 3799488
1-hydroxy-2-methylpyridin-1-ium
CID 3628169
1-butyl-2-methylpyridin-1-ium
CID 13240378
1,2-dimethylpyridin-1-ium;methane
CID 162122842
ethyl 2-(1-oxidopyridin-1-ium-2-yl)propanoate
CID 67356913
2-[(E)-oct-4-en-4-yl]-1-oxidopyridin-1-ium
CID 101441912
ethane;1-hydroxy-2-methylpyridin-1-ium
CID 144937215
bis(1-butyl-2-methylpyridin-1-ium) dichloride
CID 172861253
2-octoxy-1-oxidopyridin-1-ium
CID 139607434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxidopyridin-1-ium;propane?
The IUPAC name of 2-methyl-1-oxidopyridin-1-ium;propane (CID 91172526) is 2-methyl-1-oxidopyridin-1-ium;propane.
What is the SMILES notation for 2-methyl-1-oxidopyridin-1-ium;propane?
The canonical SMILES for 2-methyl-1-oxidopyridin-1-ium;propane is CCC.Cc1cccc[n+]1[O-].
What is the InChIKey of 2-methyl-1-oxidopyridin-1-ium;propane?
The InChIKey is BVGALBPRRYWXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C3H8/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5H,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-1-oxidopyridin-1-ium;propane?
2-methyl-1-oxidopyridin-1-ium;propane has a molecular weight of 153.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxidopyridin-1-ium;propane is sourced from PubChem (CID 91172526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).