7-bromo-2-prop-1-en-2-ylquinoxaline

C11H9BrN2 — CID 67476107

IUPAC7-bromo-2-prop-1-en-2-ylquinoxaline
SMILESC=C(C)c1cnc2ccc(Br)cc2n1
InChIInChI=1S/C11H9BrN2/c1-7(2)11-6-13-9-4-3-8(12)5-10(9)14-11/h3-6H,1H2,2H3
InChIKeyMEVJHFKPBULVQK-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.43
Rot. Bonds1

About 7-bromo-2-prop-1-en-2-ylquinoxaline

7-bromo-2-prop-1-en-2-ylquinoxaline (PubChem CID 67476107) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 7-bromo-2-prop-1-en-2-ylquinoxaline.

Molecular Properties

Compound Name7-bromo-2-prop-1-en-2-ylquinoxaline
PubChem CID67476107
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name7-bromo-2-prop-1-en-2-ylquinoxaline
SMILESC=C(C)c1cnc2ccc(Br)cc2n1
InChIInChI=1S/C11H9BrN2/c1-7(2)11-6-13-9-4-3-8(12)5-10(9)14-11/h3-6H,1H2,2H3
InChIKeyMEVJHFKPBULVQK-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-prop-1-en-2-ylquinoxaline?
The IUPAC name of 7-bromo-2-prop-1-en-2-ylquinoxaline (CID 67476107) is 7-bromo-2-prop-1-en-2-ylquinoxaline.
What is the SMILES notation for 7-bromo-2-prop-1-en-2-ylquinoxaline?
The canonical SMILES for 7-bromo-2-prop-1-en-2-ylquinoxaline is C=C(C)c1cnc2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-prop-1-en-2-ylquinoxaline?
The InChIKey is MEVJHFKPBULVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-7(2)11-6-13-9-4-3-8(12)5-10(9)14-11/h3-6H,1H2,2H3.
What are the key properties of 7-bromo-2-prop-1-en-2-ylquinoxaline?
7-bromo-2-prop-1-en-2-ylquinoxaline has a molecular weight of 249.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-prop-1-en-2-ylquinoxaline is sourced from PubChem (CID 67476107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).