2-(1-oxidoazetidin-1-ium-1-yl)ethanol

C5H11NO2 — CID 88646695

IUPAC2-(1-oxidoazetidin-1-ium-1-yl)ethanol
SMILES[O-][N+]1(CCO)CCC1
InChIInChI=1S/C5H11NO2/c7-5-4-6(8)2-1-3-6/h7H,1-5H2
InChIKeyCSCBNPWLRZENKH-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.30
Rot. Bonds2

About 2-(1-oxidoazetidin-1-ium-1-yl)ethanol

2-(1-oxidoazetidin-1-ium-1-yl)ethanol (PubChem CID 88646695) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(1-oxidoazetidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-oxidoazetidin-1-ium-1-yl)ethanol
PubChem CID88646695
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(1-oxidoazetidin-1-ium-1-yl)ethanol
SMILES[O-][N+]1(CCO)CCC1
InChIInChI=1S/C5H11NO2/c7-5-4-6(8)2-1-3-6/h7H,1-5H2
InChIKeyCSCBNPWLRZENKH-UHFFFAOYSA-N
XLogP-0.30
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-oxido-1-propylpiperidin-1-ium;hydrate
CID 90041699
12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol
CID 54414095
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol
CID 3031616
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
CID 10539047
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]ethanol
CID 129318553
N-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethyl]propanamide
CID 153346608
2-[4-[3-[4-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanol
CID 15430291
3-(1-oxidopiperidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 134967937
2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
CID 22564637
2-hydroxyethanolate
CID 13304337
cyclobutane;ethane-1,2-diol
CID 66583660
2,2-bis[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propanedioic acid
CID 87562594

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidoazetidin-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-oxidoazetidin-1-ium-1-yl)ethanol (CID 88646695) is 2-(1-oxidoazetidin-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-oxidoazetidin-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-oxidoazetidin-1-ium-1-yl)ethanol is [O-][N+]1(CCO)CCC1.
What is the InChIKey of 2-(1-oxidoazetidin-1-ium-1-yl)ethanol?
The InChIKey is CSCBNPWLRZENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-5-4-6(8)2-1-3-6/h7H,1-5H2.
What are the key properties of 2-(1-oxidoazetidin-1-ium-1-yl)ethanol?
2-(1-oxidoazetidin-1-ium-1-yl)ethanol has a molecular weight of 117.15 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidoazetidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 88646695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).