1-oxidoazetidin-1-ium-2-carbaldehyde

C4H7NO2 — CID 87758785

IUPAC1-oxidoazetidin-1-ium-2-carbaldehyde
SMILESO=CC1CC[NH+]1[O-]
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-5(4)7/h3-5H,1-2H2
InChIKeyAGZVRHDDTHOXBL-UHFFFAOYSA-N
MW101.11 g/mol
LogP-1.66
Rot. Bonds1

About 1-oxidoazetidin-1-ium-2-carbaldehyde

1-oxidoazetidin-1-ium-2-carbaldehyde (PubChem CID 87758785) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 1-oxidoazetidin-1-ium-2-carbaldehyde.

Molecular Properties

Compound Name1-oxidoazetidin-1-ium-2-carbaldehyde
PubChem CID87758785
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name1-oxidoazetidin-1-ium-2-carbaldehyde
SMILESO=CC1CC[NH+]1[O-]
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-5(4)7/h3-5H,1-2H2
InChIKeyAGZVRHDDTHOXBL-UHFFFAOYSA-N
XLogP-1.66
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oxidopiperidin-1-ium-4-carbaldehyde
CID 163493787
2-methyl-1-oxidoazetidin-1-ium
CID 173207322
1-oxidoazetidin-1-ium-2-ol
CID 173402681
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
1,4-dimethylpiperidin-1-ium acetate
CID 171571509
bicyclo[2.2.1]heptane-7-carbaldehyde
CID 84647822
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838
cyclodecanecarbaldehyde
CID 13240747
cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
cyclooctane-1,5-dicarbaldehyde
CID 18542113
(2R)-1-methylpyrrolidin-1-ium-2-carboxylate
CID 6951136
mercury;1-oxidoazetidin-1-ium
CID 88729794

Frequently Asked Questions

What is the IUPAC name of 1-oxidoazetidin-1-ium-2-carbaldehyde?
The IUPAC name of 1-oxidoazetidin-1-ium-2-carbaldehyde (CID 87758785) is 1-oxidoazetidin-1-ium-2-carbaldehyde.
What is the SMILES notation for 1-oxidoazetidin-1-ium-2-carbaldehyde?
The canonical SMILES for 1-oxidoazetidin-1-ium-2-carbaldehyde is O=CC1CC[NH+]1[O-].
What is the InChIKey of 1-oxidoazetidin-1-ium-2-carbaldehyde?
The InChIKey is AGZVRHDDTHOXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-4-1-2-5(4)7/h3-5H,1-2H2.
What are the key properties of 1-oxidoazetidin-1-ium-2-carbaldehyde?
1-oxidoazetidin-1-ium-2-carbaldehyde has a molecular weight of 101.11 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoazetidin-1-ium-2-carbaldehyde is sourced from PubChem (CID 87758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).