aziridine;1,1-dibromoethane

C4H9Br2N — CID 175898882

IUPACaziridine;1,1-dibromoethane
SMILESC1CN1.CC(Br)Br
InChIInChI=1S/C2H4Br2.C2H5N/c1-2(3)4;1-2-3-1/h2H,1H3;3H,1-2H2
InChIKeyYLTGTGPCOFHHNE-UHFFFAOYSA-N
MW230.93 g/mol
LogP1.71
Rot. Bonds

About aziridine;1,1-dibromoethane

aziridine;1,1-dibromoethane (PubChem CID 175898882) has the molecular formula C4H9Br2N and a molecular weight of 230.93 g/mol. Its IUPAC name is aziridine;1,1-dibromoethane.

Molecular Properties

Compound Nameaziridine;1,1-dibromoethane
PubChem CID175898882
Molecular FormulaC4H9Br2N
Molecular Weight230.93 g/mol
Exact Mass228.91
IUPAC Nameaziridine;1,1-dibromoethane
SMILESC1CN1.CC(Br)Br
InChIInChI=1S/C2H4Br2.C2H5N/c1-2(3)4;1-2-3-1/h2H,1H3;3H,1-2H2
InChIKeyYLTGTGPCOFHHNE-UHFFFAOYSA-N
XLogP1.71
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.93
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridine;1,1-dibromoethane?
The IUPAC name of aziridine;1,1-dibromoethane (CID 175898882) is aziridine;1,1-dibromoethane.
What is the SMILES notation for aziridine;1,1-dibromoethane?
The canonical SMILES for aziridine;1,1-dibromoethane is C1CN1.CC(Br)Br.
What is the InChIKey of aziridine;1,1-dibromoethane?
The InChIKey is YLTGTGPCOFHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H5N/c1-2(3)4;1-2-3-1/h2H,1H3;3H,1-2H2.
What are the key properties of aziridine;1,1-dibromoethane?
aziridine;1,1-dibromoethane has a molecular weight of 230.93 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;1,1-dibromoethane is sourced from PubChem (CID 175898882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).