1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol

C9H14BrNO — CID 84695325

IUPAC1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol
SMILESCC(O)c1cc(Br)n(C(C)C)c1
InChIInChI=1S/C9H14BrNO/c1-6(2)11-5-8(7(3)12)4-9(11)10/h4-7,12H,1-3H3
InChIKeyBQUVKZCXTNORSB-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.88
Rot. Bonds2

About 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol

1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol (PubChem CID 84695325) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol
PubChem CID84695325
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol
SMILESCC(O)c1cc(Br)n(C(C)C)c1
InChIInChI=1S/C9H14BrNO/c1-6(2)11-5-8(7(3)12)4-9(11)10/h4-7,12H,1-3H3
InChIKeyBQUVKZCXTNORSB-UHFFFAOYSA-N
XLogP2.88
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol?
The IUPAC name of 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol (CID 84695325) is 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol is CC(O)c1cc(Br)n(C(C)C)c1.
What is the InChIKey of 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol?
The InChIKey is BQUVKZCXTNORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-6(2)11-5-8(7(3)12)4-9(11)10/h4-7,12H,1-3H3.
What are the key properties of 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol?
1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol has a molecular weight of 232.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-propan-2-ylpyrrol-3-yl)ethanol is sourced from PubChem (CID 84695325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).