1-(aziridin-1-yl)ethanone

C4H7NO — CID 9994

IUPAC1-(aziridin-1-yl)ethanone
SMILESCC(=O)N1CC1
InChIInChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKeyOTIXUSNHAKOJBX-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.15
Rot. Bonds

About 1-(aziridin-1-yl)ethanone

1-(aziridin-1-yl)ethanone (PubChem CID 9994) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 1-(aziridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(aziridin-1-yl)ethanone
PubChem CID9994
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name1-(aziridin-1-yl)ethanone
SMILESCC(=O)N1CC1
InChIInChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKeyOTIXUSNHAKOJBX-UHFFFAOYSA-N
XLogP-0.15
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.15
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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Related Compounds

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N-acetylaziridinone
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Ethylacetimide
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CID 129808396
1,1-Diethylaziridin-1-ium-2-one
CID 22960468
CID 57875856
CID 57875856
1-Ethylaziridin-2-one
CID 58931896
CID 58998284
CID 58998284
1-Ethyl-1-methylaziridin-1-ium-2-one
CID 59698496

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)ethanone?
The IUPAC name of 1-(aziridin-1-yl)ethanone (CID 9994) is 1-(aziridin-1-yl)ethanone.
What is the SMILES notation for 1-(aziridin-1-yl)ethanone?
The canonical SMILES for 1-(aziridin-1-yl)ethanone is CC(=O)N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)ethanone?
The InChIKey is OTIXUSNHAKOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3.
What are the key properties of 1-(aziridin-1-yl)ethanone?
1-(aziridin-1-yl)ethanone has a molecular weight of 85.11 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)ethanone is sourced from PubChem (CID 9994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).