Acethylethylenimine

C4H5NO — CID 85965243

IUPAC1-(2H-azirin-2-yl)ethanone
SMILESCC(=O)C1C=N1
InChIInChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3
InChIKeyLXSQUKZTZXNNCC-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.40
Rot. Bonds1

About Acethylethylenimine

Acethylethylenimine (PubChem CID 85965243) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 1-(2H-azirin-2-yl)ethanone.

Molecular Properties

Compound NameAcethylethylenimine
PubChem CID85965243
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name1-(2H-azirin-2-yl)ethanone
SMILESCC(=O)C1C=N1
InChIInChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3
InChIKeyLXSQUKZTZXNNCC-UHFFFAOYSA-N
XLogP-0.40
TPSA29.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity106

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Acethylethylenimine?
The IUPAC name of Acethylethylenimine (CID 85965243) is 1-(2H-azirin-2-yl)ethanone.
What is the SMILES notation for Acethylethylenimine?
The canonical SMILES for Acethylethylenimine is CC(=O)C1C=N1.
What is the InChIKey of Acethylethylenimine?
The InChIKey is LXSQUKZTZXNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3.
What are the key properties of Acethylethylenimine?
Acethylethylenimine has a molecular weight of 83.09 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Acethylethylenimine is sourced from PubChem (CID 85965243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).