(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone

C15H12BrNO2 — CID 70027973

IUPAC(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone
SMILESCC1=NC(C)(C(=O)c2cc3cc(Br)ccc3o2)C=C1
InChIInChI=1S/C15H12BrNO2/c1-9-5-6-15(2,17-9)14(18)13-8-10-7-11(16)3-4-12(10)19-13/h3-8H,1-2H3
InChIKeyVTILMGZVBYSBFO-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.17
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone

(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone (PubChem CID 70027973) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone
PubChem CID70027973
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone
SMILESCC1=NC(C)(C(=O)c2cc3cc(Br)ccc3o2)C=C1
InChIInChI=1S/C15H12BrNO2/c1-9-5-6-15(2,17-9)14(18)13-8-10-7-11(16)3-4-12(10)19-13/h3-8H,1-2H3
InChIKeyVTILMGZVBYSBFO-UHFFFAOYSA-N
XLogP4.17
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone (CID 70027973) is (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone is CC1=NC(C)(C(=O)c2cc3cc(Br)ccc3o2)C=C1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone?
The InChIKey is VTILMGZVBYSBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-9-5-6-15(2,17-9)14(18)13-8-10-7-11(16)3-4-12(10)19-13/h3-8H,1-2H3.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone?
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone has a molecular weight of 318.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylpyrrol-2-yl)methanone is sourced from PubChem (CID 70027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).