azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone

C13H12BrNO2 — CID 9360455

IUPACazetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC2)oc2ccc(Br)cc12
InChIInChI=1S/C13H12BrNO2/c1-8-10-7-9(14)3-4-11(10)17-12(8)13(16)15-5-2-6-15/h3-4,7H,2,5-6H2,1H3
InChIKeyWHRNLTOASONNTK-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.35
Rot. Bonds1

About azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone

azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 9360455) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID9360455
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Nameazetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC2)oc2ccc(Br)cc12
InChIInChI=1S/C13H12BrNO2/c1-8-10-7-9(14)3-4-11(10)17-12(8)13(16)15-5-2-6-15/h3-4,7H,2,5-6H2,1H3
InChIKeyWHRNLTOASONNTK-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone (CID 9360455) is azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCC2)oc2ccc(Br)cc12.
What is the InChIKey of azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WHRNLTOASONNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-8-10-7-9(14)3-4-11(10)17-12(8)13(16)15-5-2-6-15/h3-4,7H,2,5-6H2,1H3.
What are the key properties of azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone?
azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 294.15 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 9360455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).