1,1-dimethylaziridin-1-ium iodide

C4H10IN — CID 88764737

IUPAC1,1-dimethylaziridin-1-ium iodide
SMILESC[N+]1(C)CC1.[I-]
InChIInChI=1S/C4H10N.HI/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyHQVPWMDTSSZEAY-UHFFFAOYSA-M
MW199.03 g/mol
LogP-2.92
Rot. Bonds

About 1,1-dimethylaziridin-1-ium iodide

1,1-dimethylaziridin-1-ium iodide (PubChem CID 88764737) has the molecular formula C4H10IN and a molecular weight of 199.03 g/mol. Its IUPAC name is 1,1-dimethylaziridin-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethylaziridin-1-ium iodide
PubChem CID88764737
Molecular FormulaC4H10IN
Molecular Weight199.03 g/mol
Exact Mass198.99
IUPAC Name1,1-dimethylaziridin-1-ium iodide
SMILESC[N+]1(C)CC1.[I-]
InChIInChI=1S/C4H10N.HI/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyHQVPWMDTSSZEAY-UHFFFAOYSA-M
XLogP-2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylaziridin-1-ium iodide?
The IUPAC name of 1,1-dimethylaziridin-1-ium iodide (CID 88764737) is 1,1-dimethylaziridin-1-ium iodide.
What is the SMILES notation for 1,1-dimethylaziridin-1-ium iodide?
The canonical SMILES for 1,1-dimethylaziridin-1-ium iodide is C[N+]1(C)CC1.[I-].
What is the InChIKey of 1,1-dimethylaziridin-1-ium iodide?
The InChIKey is HQVPWMDTSSZEAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N.HI/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethylaziridin-1-ium iodide?
1,1-dimethylaziridin-1-ium iodide has a molecular weight of 199.03 g/mol, XLogP of -2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylaziridin-1-ium iodide is sourced from PubChem (CID 88764737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).