3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine

C7H7Br2NO — CID 76997314

IUPAC3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C7H7Br2NO/c8-6-4-5(2-1-3-10)11-7(6)9/h1-2,4H,3,10H2
InChIKeyBWFVUMIJQVXYBW-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.78
Rot. Bonds2

About 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine

3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine (PubChem CID 76997314) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine
PubChem CID76997314
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C7H7Br2NO/c8-6-4-5(2-1-3-10)11-7(6)9/h1-2,4H,3,10H2
InChIKeyBWFVUMIJQVXYBW-UHFFFAOYSA-N
XLogP2.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine (CID 76997314) is 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine is NCC=Cc1cc(Br)c(Br)o1.
What is the InChIKey of 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine?
The InChIKey is BWFVUMIJQVXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c8-6-4-5(2-1-3-10)11-7(6)9/h1-2,4H,3,10H2.
What are the key properties of 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine?
3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine has a molecular weight of 280.95 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromofuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 76997314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).