N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine

C11H12Br2N2O — CID 79100599

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H12Br2N2O/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3
InChIKeyDXDYKMFKEBCWHX-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.97
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79100599) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79100599
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H12Br2N2O/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3
InChIKeyDXDYKMFKEBCWHX-UHFFFAOYSA-N
XLogP3.97
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79100599) is N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is DXDYKMFKEBCWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 348.04 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).