1-oxidoazetidin-1-ium-2-ol

C3H7NO2 — CID 173402681

IUPAC1-oxidoazetidin-1-ium-2-ol
SMILES[O-][NH+]1CCC1O
InChIInChI=1S/C3H7NO2/c5-3-1-2-4(3)6/h3-5H,1-2H2
InChIKeyQPHRAQYONWUJSM-UHFFFAOYSA-N
MW89.09 g/mol
LogP-1.91
Rot. Bonds

About 1-oxidoazetidin-1-ium-2-ol

1-oxidoazetidin-1-ium-2-ol (PubChem CID 173402681) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 1-oxidoazetidin-1-ium-2-ol.

Molecular Properties

Compound Name1-oxidoazetidin-1-ium-2-ol
PubChem CID173402681
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name1-oxidoazetidin-1-ium-2-ol
SMILES[O-][NH+]1CCC1O
InChIInChI=1S/C3H7NO2/c5-3-1-2-4(3)6/h3-5H,1-2H2
InChIKeyQPHRAQYONWUJSM-UHFFFAOYSA-N
XLogP-1.91
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-oxidoazetidin-1-ium
CID 173207322
3-oxido-1,3-thiazolidin-3-ium-2-ol
CID 173197713
1-oxidoazetidin-1-ium-2-carbaldehyde
CID 87758785
mercury;1-oxidoazetidin-1-ium
CID 88729794
1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-1-ium
CID 18542535
potassium cyclopropanol
CID 18764435
cyclohexane-1,4-diol
CID 11162
1-oxido-2-propylimidazolidin-1-ium
CID 88708583
1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one
CID 23377764
2-(methyldisulfanyl)-1-oxidopiperidin-1-ium
CID 163168706
cyclobutanol;cyclopropanol
CID 175019048
cyclohexane-1,4-diol;hydrochloride
CID 141062883

Frequently Asked Questions

What is the IUPAC name of 1-oxidoazetidin-1-ium-2-ol?
The IUPAC name of 1-oxidoazetidin-1-ium-2-ol (CID 173402681) is 1-oxidoazetidin-1-ium-2-ol.
What is the SMILES notation for 1-oxidoazetidin-1-ium-2-ol?
The canonical SMILES for 1-oxidoazetidin-1-ium-2-ol is [O-][NH+]1CCC1O.
What is the InChIKey of 1-oxidoazetidin-1-ium-2-ol?
The InChIKey is QPHRAQYONWUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c5-3-1-2-4(3)6/h3-5H,1-2H2.
What are the key properties of 1-oxidoazetidin-1-ium-2-ol?
1-oxidoazetidin-1-ium-2-ol has a molecular weight of 89.09 g/mol, XLogP of -1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoazetidin-1-ium-2-ol is sourced from PubChem (CID 173402681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).