1,2-dibromoethane;piperidine-2,6-dione

C7H11Br2NO2 — CID 160540875

IUPAC1,2-dibromoethane;piperidine-2,6-dione
SMILESBrCCBr.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C2H4Br2/c7-4-2-1-3-5(8)6-4;3-1-2-4/h1-3H2,(H,6,7,8);1-2H2
InChIKeyQWTNFDARCROSGE-UHFFFAOYSA-N
MW300.98 g/mol
LogP1.59
Rot. Bonds1

About 1,2-dibromoethane;piperidine-2,6-dione

1,2-dibromoethane;piperidine-2,6-dione (PubChem CID 160540875) has the molecular formula C7H11Br2NO2 and a molecular weight of 300.98 g/mol. Its IUPAC name is 1,2-dibromoethane;piperidine-2,6-dione.

Molecular Properties

Compound Name1,2-dibromoethane;piperidine-2,6-dione
PubChem CID160540875
Molecular FormulaC7H11Br2NO2
Molecular Weight300.98 g/mol
Exact Mass298.92
IUPAC Name1,2-dibromoethane;piperidine-2,6-dione
SMILESBrCCBr.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C2H4Br2/c7-4-2-1-3-5(8)6-4;3-1-2-4/h1-3H2,(H,6,7,8);1-2H2
InChIKeyQWTNFDARCROSGE-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.98
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

sodium piperidine-2,6-dione
CID 22619648
azepane-2,7-dione;ethane
CID 145404800
formic acid;piperidine-2,6-dione
CID 175983353
pentanedioic acid;piperidine-2,6-dione
CID 175379041
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 157384744
CID 157384744
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
piperidine-2,6-dione;terephthalic acid
CID 175551012
pyrrolidine-2,5-dione;sulfanylidenemolybdenum
CID 158754348
1,4,10,13-tetrazacyclooctadecane-5,9,14,18-tetrone
CID 10481144

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane;piperidine-2,6-dione?
The IUPAC name of 1,2-dibromoethane;piperidine-2,6-dione (CID 160540875) is 1,2-dibromoethane;piperidine-2,6-dione.
What is the SMILES notation for 1,2-dibromoethane;piperidine-2,6-dione?
The canonical SMILES for 1,2-dibromoethane;piperidine-2,6-dione is BrCCBr.O=C1CCCC(=O)N1.
What is the InChIKey of 1,2-dibromoethane;piperidine-2,6-dione?
The InChIKey is QWTNFDARCROSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C2H4Br2/c7-4-2-1-3-5(8)6-4;3-1-2-4/h1-3H2,(H,6,7,8);1-2H2.
What are the key properties of 1,2-dibromoethane;piperidine-2,6-dione?
1,2-dibromoethane;piperidine-2,6-dione has a molecular weight of 300.98 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;piperidine-2,6-dione is sourced from PubChem (CID 160540875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).