2-(2-methylpyrrol-1-yl)ethanol

C7H11NO — CID 3394837

IUPAC2-(2-methylpyrrol-1-yl)ethanol
SMILESCc1cccn1CCO
InChIInChI=1S/C7H11NO/c1-7-3-2-4-8(7)5-6-9/h2-4,9H,5-6H2,1H3
InChIKeyFBKRNPLLIWQEPY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds2

About 2-(2-methylpyrrol-1-yl)ethanol

2-(2-methylpyrrol-1-yl)ethanol (PubChem CID 3394837) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-methylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylpyrrol-1-yl)ethanol
PubChem CID3394837
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-methylpyrrol-1-yl)ethanol
SMILESCc1cccn1CCO
InChIInChI=1S/C7H11NO/c1-7-3-2-4-8(7)5-6-9/h2-4,9H,5-6H2,1H3
InChIKeyFBKRNPLLIWQEPY-UHFFFAOYSA-N
XLogP0.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(2-methylpyrrol-1-yl)ethanol (CID 3394837) is 2-(2-methylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(2-methylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(2-methylpyrrol-1-yl)ethanol is Cc1cccn1CCO.
What is the InChIKey of 2-(2-methylpyrrol-1-yl)ethanol?
The InChIKey is FBKRNPLLIWQEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7-3-2-4-8(7)5-6-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 2-(2-methylpyrrol-1-yl)ethanol?
2-(2-methylpyrrol-1-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrol-1-yl)ethanol is sourced from PubChem (CID 3394837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).