1-(aziridin-1-yl)ethanone;ethane

C6H13NO — CID 123634674

IUPAC1-(aziridin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CC1
InChIInChI=1S/C4H7NO.C2H6/c1-4(6)5-2-3-5;1-2/h2-3H2,1H3;1-2H3
InChIKeyIDLKBGRPDHURCB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.87
Rot. Bonds

About 1-(aziridin-1-yl)ethanone;ethane

1-(aziridin-1-yl)ethanone;ethane (PubChem CID 123634674) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(aziridin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(aziridin-1-yl)ethanone;ethane
PubChem CID123634674
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(aziridin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CC1
InChIInChI=1S/C4H7NO.C2H6/c1-4(6)5-2-3-5;1-2/h2-3H2,1H3;1-2H3
InChIKeyIDLKBGRPDHURCB-UHFFFAOYSA-N
XLogP0.87
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.87
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-(aziridin-1-yl)ethanone;ethane?
The IUPAC name of 1-(aziridin-1-yl)ethanone;ethane (CID 123634674) is 1-(aziridin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(aziridin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(aziridin-1-yl)ethanone;ethane is CC.CC(=O)N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)ethanone;ethane?
The InChIKey is IDLKBGRPDHURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6/c1-4(6)5-2-3-5;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of 1-(aziridin-1-yl)ethanone;ethane?
1-(aziridin-1-yl)ethanone;ethane has a molecular weight of 115.18 g/mol, XLogP of 0.87, 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;ethane is sourced from PubChem (CID 123634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).