3-methyl-1,3-oxazolidin-2-imine;hydroiodide

C4H9IN2O — CID 21475756

IUPAC3-methyl-1,3-oxazolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\OCCN1C
InChIInChI=1S/C4H8N2O.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H/b5-4-;
InChIKeyPTBXABZFKIIZGL-MKWAYWHRSA-N
MW228.03 g/mol
LogP0.50
Rot. Bonds

About 3-methyl-1,3-oxazolidin-2-imine;hydroiodide

3-methyl-1,3-oxazolidin-2-imine;hydroiodide (PubChem CID 21475756) has the molecular formula C4H9IN2O and a molecular weight of 228.03 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-2-imine;hydroiodide.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-2-imine;hydroiodide
PubChem CID21475756
Molecular FormulaC4H9IN2O
Molecular Weight228.03 g/mol
Exact Mass227.98
IUPAC Name3-methyl-1,3-oxazolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\OCCN1C
InChIInChI=1S/C4H8N2O.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H/b5-4-;
InChIKeyPTBXABZFKIIZGL-MKWAYWHRSA-N
XLogP0.50
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-2-imine;hydroiodide?
The IUPAC name of 3-methyl-1,3-oxazolidin-2-imine;hydroiodide (CID 21475756) is 3-methyl-1,3-oxazolidin-2-imine;hydroiodide.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-2-imine;hydroiodide?
The canonical SMILES for 3-methyl-1,3-oxazolidin-2-imine;hydroiodide is I.[H]/N=C1\OCCN1C.
What is the InChIKey of 3-methyl-1,3-oxazolidin-2-imine;hydroiodide?
The InChIKey is PTBXABZFKIIZGL-MKWAYWHRSA-N. The full InChI is InChI=1S/C4H8N2O.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H/b5-4-;.
What are the key properties of 3-methyl-1,3-oxazolidin-2-imine;hydroiodide?
3-methyl-1,3-oxazolidin-2-imine;hydroiodide has a molecular weight of 228.03 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-2-imine;hydroiodide is sourced from PubChem (CID 21475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).