2-cyclobutyl-1-oxidopyridin-1-ium

C9H11NO — CID 134861229

IUPAC2-cyclobutyl-1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1C1CCC1
InChIInChI=1S/C9H11NO/c11-10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyFDSLQYUAJZQSFK-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.59
Rot. Bonds1

About 2-cyclobutyl-1-oxidopyridin-1-ium

2-cyclobutyl-1-oxidopyridin-1-ium (PubChem CID 134861229) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-cyclobutyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name2-cyclobutyl-1-oxidopyridin-1-ium
PubChem CID134861229
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-cyclobutyl-1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1C1CCC1
InChIInChI=1S/C9H11NO/c11-10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyFDSLQYUAJZQSFK-UHFFFAOYSA-N
XLogP1.59
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.59
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-cyclooctyl-1-oxidopyridin-1-ium
CID 134861148
2-(1-butylpiperidin-4-yl)-1-oxidopyridin-1-ium
CID 59974757
1-tert-butyl-2-cyclohexylpyridin-1-ium
CID 155615499
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;tin(2+);dichlorate
CID 173429888
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium
CID 159986983
methyl 3-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carboxylate
CID 4212949
1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol
CID 102392034
2-chloro-1-oxidopyridin-1-ium;molecular nitrogen
CID 174754604
N-cyclohexyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 78760597
2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75403884
[dimethyl-(1-oxidopyridin-1-ium-2-yl)silyl]oxy-dimethyl-(1-oxidopyridin-1-ium-2-yl)silane
CID 14598000
N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
CID 160520836

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-oxidopyridin-1-ium?
The IUPAC name of 2-cyclobutyl-1-oxidopyridin-1-ium (CID 134861229) is 2-cyclobutyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 2-cyclobutyl-1-oxidopyridin-1-ium?
The canonical SMILES for 2-cyclobutyl-1-oxidopyridin-1-ium is [O-][n+]1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-oxidopyridin-1-ium?
The InChIKey is FDSLQYUAJZQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2.
What are the key properties of 2-cyclobutyl-1-oxidopyridin-1-ium?
2-cyclobutyl-1-oxidopyridin-1-ium has a molecular weight of 149.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 134861229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).