2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline

C14H14Br2N2 — CID 10785364

IUPAC2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline
SMILESCC(C)(C)/C(Br)=C(\Br)c1cnc2ccccc2n1
InChIInChI=1S/C14H14Br2N2/c1-14(2,3)13(16)12(15)11-8-17-9-6-4-5-7-10(9)18-11/h4-8H,1-3H3/b13-12+
InChIKeyPIOLGZMAZQVOFB-OUKQBFOZSA-N
MW370.09 g/mol
LogP5.13
Rot. Bonds1

About 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline

2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline (PubChem CID 10785364) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline.

Molecular Properties

Compound Name2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline
PubChem CID10785364
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline
SMILESCC(C)(C)/C(Br)=C(\Br)c1cnc2ccccc2n1
InChIInChI=1S/C14H14Br2N2/c1-14(2,3)13(16)12(15)11-8-17-9-6-4-5-7-10(9)18-11/h4-8H,1-3H3/b13-12+
InChIKeyPIOLGZMAZQVOFB-OUKQBFOZSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline?
The IUPAC name of 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline (CID 10785364) is 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline.
What is the SMILES notation for 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline?
The canonical SMILES for 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline is CC(C)(C)/C(Br)=C(\Br)c1cnc2ccccc2n1.
What is the InChIKey of 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline?
The InChIKey is PIOLGZMAZQVOFB-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-14(2,3)13(16)12(15)11-8-17-9-6-4-5-7-10(9)18-11/h4-8H,1-3H3/b13-12+.
What are the key properties of 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline?
2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline has a molecular weight of 370.09 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline is sourced from PubChem (CID 10785364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).