1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole

C10H10BrNO — CID 96591675

IUPAC1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(Br)o1
InChIInChI=1S/C10H10BrNO/c1-7-3-4-8(2)12(7)10-6-5-9(11)13-10/h3-6H,1-2H3
InChIKeyIHOVMXFHIOCUCZ-UHFFFAOYSA-N
MW240.10 g/mol
LogP3.45
Rot. Bonds1

About 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole

1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole (PubChem CID 96591675) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole
PubChem CID96591675
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(Br)o1
InChIInChI=1S/C10H10BrNO/c1-7-3-4-8(2)12(7)10-6-5-9(11)13-10/h3-6H,1-2H3
InChIKeyIHOVMXFHIOCUCZ-UHFFFAOYSA-N
XLogP3.45
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98771391
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2-bromo-5-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]furan
CID 55200403
1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
CID 23399439
4-bromo-2,6-bis(2,5-dimethylpyrrol-1-yl)pyridine
CID 126649945
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
4-(5-bromofuran-2-yl)-6-methyl-1,4-diazepan-5-one
CID 115100366
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
2-(5-bromofuran-2-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115101040
tris(5-bromofuran-2-yl)phosphane
CID 10814161
(5-bromofuran-2-yl)-(2,3-dimethylimidazol-4-yl)methanone
CID 130519243
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole (CID 96591675) is 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole?
The InChIKey is IHOVMXFHIOCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-3-4-8(2)12(7)10-6-5-9(11)13-10/h3-6H,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole?
1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole has a molecular weight of 240.10 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2,5-dimethylpyrrole is sourced from PubChem (CID 96591675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).