2-methyl-1-oxidoazetidin-1-ium

C4H9NO — CID 173207322

IUPAC2-methyl-1-oxidoazetidin-1-ium
SMILESCC1CC[NH+]1[O-]
InChIInChI=1S/C4H9NO/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyQSPDORSXAIWGNF-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.84
Rot. Bonds

About 2-methyl-1-oxidoazetidin-1-ium

2-methyl-1-oxidoazetidin-1-ium (PubChem CID 173207322) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-methyl-1-oxidoazetidin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxidoazetidin-1-ium
PubChem CID173207322
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-methyl-1-oxidoazetidin-1-ium
SMILESCC1CC[NH+]1[O-]
InChIInChI=1S/C4H9NO/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyQSPDORSXAIWGNF-UHFFFAOYSA-N
XLogP-0.84
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-oxidoazetidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-oxidoazetidin-1-ium-2-carbaldehyde
CID 87758785
6-methyl-1-oxidopiperidin-1-ium-2-amine;hydrochloride
CID 88807103
1,2-dimethylaziridin-1-ium
CID 59383272
mercury;1-oxidoazetidin-1-ium
CID 88729794
3,5-dimethyl-1-oxidopyrazolidin-1-ium
CID 87699310
1,2-dimethylpyrrolidin-1-ium acetate
CID 171570831
2-(methyldisulfanyl)-1-oxidopiperidin-1-ium
CID 163168706
(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium
CID 163455332
1-methanidyl-4-methylpiperidin-1-ium
CID 22980573
1-decyl-2-methylpyrrolidin-1-ium;methanesulfonate
CID 171571295
ethane;methylcyclopropane
CID 158329065
2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium
CID 101037054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxidoazetidin-1-ium?
The IUPAC name of 2-methyl-1-oxidoazetidin-1-ium (CID 173207322) is 2-methyl-1-oxidoazetidin-1-ium.
What is the SMILES notation for 2-methyl-1-oxidoazetidin-1-ium?
The canonical SMILES for 2-methyl-1-oxidoazetidin-1-ium is CC1CC[NH+]1[O-].
What is the InChIKey of 2-methyl-1-oxidoazetidin-1-ium?
The InChIKey is QSPDORSXAIWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-1-oxidoazetidin-1-ium?
2-methyl-1-oxidoazetidin-1-ium has a molecular weight of 87.12 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxidoazetidin-1-ium is sourced from PubChem (CID 173207322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).