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

C6H9NO — CID 159166128

IUPAC2-(2H-pyrrol-4-yl)ethanol
SMILESOCCC1=CCN=C1
InChIInChI=1S/C6H9NO/c8-4-2-6-1-3-7-5-6/h1,5,8H,2-4H2
InChIKeyNRAWIJKAKWONFU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.38
Rot. Bonds2

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

2-(2H-pyrrol-4-yl)ethanol (PubChem CID 159166128) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(2H-pyrrol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2H-pyrrol-4-yl)ethanol
PubChem CID159166128
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(2H-pyrrol-4-yl)ethanol
SMILESOCCC1=CCN=C1
InChIInChI=1S/C6H9NO/c8-4-2-6-1-3-7-5-6/h1,5,8H,2-4H2
InChIKeyNRAWIJKAKWONFU-UHFFFAOYSA-N
XLogP0.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrrol-4-yl)ethanol?
The IUPAC name of 2-(2H-pyrrol-4-yl)ethanol (CID 159166128) is 2-(2H-pyrrol-4-yl)ethanol.
What is the SMILES notation for 2-(2H-pyrrol-4-yl)ethanol?
The canonical SMILES for 2-(2H-pyrrol-4-yl)ethanol is OCCC1=CCN=C1.
What is the InChIKey of 2-(2H-pyrrol-4-yl)ethanol?
The InChIKey is NRAWIJKAKWONFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-4-2-6-1-3-7-5-6/h1,5,8H,2-4H2.
What are the key properties of 2-(2H-pyrrol-4-yl)ethanol?
2-(2H-pyrrol-4-yl)ethanol has a molecular weight of 111.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrrol-4-yl)ethanol is sourced from PubChem (CID 159166128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).