2-(2-methyl-2H-pyrrol-4-yl)ethanol

C7H11NO — CID 89302827

IUPAC2-(2-methyl-2H-pyrrol-4-yl)ethanol
SMILESCC1C=C(CCO)C=N1
InChIInChI=1S/C7H11NO/c1-6-4-7(2-3-9)5-8-6/h4-6,9H,2-3H2,1H3
InChIKeyFKLPWGXNGBKETE-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-methyl-2H-pyrrol-4-yl)ethanol

2-(2-methyl-2H-pyrrol-4-yl)ethanol (PubChem CID 89302827) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-methyl-2H-pyrrol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-2H-pyrrol-4-yl)ethanol
PubChem CID89302827
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-methyl-2H-pyrrol-4-yl)ethanol
SMILESCC1C=C(CCO)C=N1
InChIInChI=1S/C7H11NO/c1-6-4-7(2-3-9)5-8-6/h4-6,9H,2-3H2,1H3
InChIKeyFKLPWGXNGBKETE-UHFFFAOYSA-N
XLogP0.77
TPSA32.59 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2H-pyrrol-4-yl)ethanol?
The IUPAC name of 2-(2-methyl-2H-pyrrol-4-yl)ethanol (CID 89302827) is 2-(2-methyl-2H-pyrrol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-2H-pyrrol-4-yl)ethanol?
The canonical SMILES for 2-(2-methyl-2H-pyrrol-4-yl)ethanol is CC1C=C(CCO)C=N1.
What is the InChIKey of 2-(2-methyl-2H-pyrrol-4-yl)ethanol?
The InChIKey is FKLPWGXNGBKETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-7(2-3-9)5-8-6/h4-6,9H,2-3H2,1H3.
What are the key properties of 2-(2-methyl-2H-pyrrol-4-yl)ethanol?
2-(2-methyl-2H-pyrrol-4-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2H-pyrrol-4-yl)ethanol is sourced from PubChem (CID 89302827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).