2-pyrrol-1-ylethanol

C6H9NO — CID 10975438

IUPAC2-pyrrol-1-ylethanol
SMILESOCCn1cccc1
InChIInChI=1S/C6H9NO/c8-6-5-7-3-1-2-4-7/h1-4,8H,5-6H2
InChIKeyZIOLCZCJJJNOEJ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.48
Rot. Bonds2

About 2-pyrrol-1-ylethanol

2-pyrrol-1-ylethanol (PubChem CID 10975438) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-pyrrol-1-ylethanol.

Molecular Properties

Compound Name2-pyrrol-1-ylethanol
PubChem CID10975438
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-pyrrol-1-ylethanol
SMILESOCCn1cccc1
InChIInChI=1S/C6H9NO/c8-6-5-7-3-1-2-4-7/h1-4,8H,5-6H2
InChIKeyZIOLCZCJJJNOEJ-UHFFFAOYSA-N
XLogP0.48
TPSA25.16 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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylethanol?
The IUPAC name of 2-pyrrol-1-ylethanol (CID 10975438) is 2-pyrrol-1-ylethanol.
What is the SMILES notation for 2-pyrrol-1-ylethanol?
The canonical SMILES for 2-pyrrol-1-ylethanol is OCCn1cccc1.
What is the InChIKey of 2-pyrrol-1-ylethanol?
The InChIKey is ZIOLCZCJJJNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-6-5-7-3-1-2-4-7/h1-4,8H,5-6H2.
What are the key properties of 2-pyrrol-1-ylethanol?
2-pyrrol-1-ylethanol has a molecular weight of 111.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylethanol is sourced from PubChem (CID 10975438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).