1-(1-methylaziridin-1-ium-1-yl)ethanone

C5H10NO+ — CID 163916056

IUPAC1-(1-methylaziridin-1-ium-1-yl)ethanone
SMILESCC(=O)[N+]1(C)CC1
InChIInChI=1S/C5H10NO/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3/q+1
InChIKeyNBQUSDJMJZOQBC-UHFFFAOYSA-N
MW100.14 g/mol
LogP-0.01
Rot. Bonds

About 1-(1-methylaziridin-1-ium-1-yl)ethanone

1-(1-methylaziridin-1-ium-1-yl)ethanone (PubChem CID 163916056) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-(1-methylaziridin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylaziridin-1-ium-1-yl)ethanone
PubChem CID163916056
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name1-(1-methylaziridin-1-ium-1-yl)ethanone
SMILESCC(=O)[N+]1(C)CC1
InChIInChI=1S/C5H10NO/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3/q+1
InChIKeyNBQUSDJMJZOQBC-UHFFFAOYSA-N
XLogP-0.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 90042639
1-(4-methylmorpholin-4-ium-4-yl)ethanone chloride
CID 90043791
1-(1,4-dimethylpiperazin-1-ium-1-yl)ethanone
CID 54094876
1-acetyl-1-methylazepan-1-ium-4-one acetate
CID 134893688
1-(4-hydroxy-1,1-dimethylpiperidin-1-ium-4-yl)ethanone
CID 166474322
manganese(2+);2-oxopropanoic acid
CID 162367990
4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)
CID 67484156
5-azoniaspiro[4.5]decane acetate
CID 139511127
1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone
CID 20802826
manganese(2+);acetate;hydroxide
CID 56943305
CID 131870939
CID 131870939
strontium 2-oxopropanoic acid
CID 10154276

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylaziridin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(1-methylaziridin-1-ium-1-yl)ethanone (CID 163916056) is 1-(1-methylaziridin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(1-methylaziridin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(1-methylaziridin-1-ium-1-yl)ethanone is CC(=O)[N+]1(C)CC1.
What is the InChIKey of 1-(1-methylaziridin-1-ium-1-yl)ethanone?
The InChIKey is NBQUSDJMJZOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3/q+1.
What are the key properties of 1-(1-methylaziridin-1-ium-1-yl)ethanone?
1-(1-methylaziridin-1-ium-1-yl)ethanone has a molecular weight of 100.14 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylaziridin-1-ium-1-yl)ethanone is sourced from PubChem (CID 163916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).