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

C7H11NO — CID 11768572

IUPAC2-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1CCO
InChIInChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h2-3,5,9H,4,6H2,1H3
InChIKeyOWUIUYMLDSTENT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.56
Rot. Bonds2

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

2-(1-methylpyrrol-2-yl)ethanol (PubChem CID 11768572) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)ethanol
PubChem CID11768572
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1CCO
InChIInChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h2-3,5,9H,4,6H2,1H3
InChIKeyOWUIUYMLDSTENT-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)ethanol?
The IUPAC name of 2-(1-methylpyrrol-2-yl)ethanol (CID 11768572) is 2-(1-methylpyrrol-2-yl)ethanol.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)ethanol?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)ethanol is Cn1cccc1CCO.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)ethanol?
The InChIKey is OWUIUYMLDSTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h2-3,5,9H,4,6H2,1H3.
What are the key properties of 2-(1-methylpyrrol-2-yl)ethanol?
2-(1-methylpyrrol-2-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)ethanol is sourced from PubChem (CID 11768572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).