1-(2-methylaziridin-1-yl)ethanone

C5H9NO — CID 545810

IUPAC1-(2-methylaziridin-1-yl)ethanone
SMILESCC(=O)N1CC1C
InChIInChI=1S/C5H9NO/c1-4-3-6(4)5(2)7/h4H,3H2,1-2H3
InChIKeyOHCDWNRYBLLYIR-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.24
Rot. Bonds

About 1-(2-methylaziridin-1-yl)ethanone

1-(2-methylaziridin-1-yl)ethanone (PubChem CID 545810) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(2-methylaziridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylaziridin-1-yl)ethanone
PubChem CID545810
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(2-methylaziridin-1-yl)ethanone
SMILESCC(=O)N1CC1C
InChIInChI=1S/C5H9NO/c1-4-3-6(4)5(2)7/h4H,3H2,1-2H3
InChIKeyOHCDWNRYBLLYIR-UHFFFAOYSA-N
XLogP0.24
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylaziridin-1-yl)ethanone?
The IUPAC name of 1-(2-methylaziridin-1-yl)ethanone (CID 545810) is 1-(2-methylaziridin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methylaziridin-1-yl)ethanone?
The canonical SMILES for 1-(2-methylaziridin-1-yl)ethanone is CC(=O)N1CC1C.
What is the InChIKey of 1-(2-methylaziridin-1-yl)ethanone?
The InChIKey is OHCDWNRYBLLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-3-6(4)5(2)7/h4H,3H2,1-2H3.
What are the key properties of 1-(2-methylaziridin-1-yl)ethanone?
1-(2-methylaziridin-1-yl)ethanone has a molecular weight of 99.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylaziridin-1-yl)ethanone is sourced from PubChem (CID 545810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).