1-pyrrol-1-ylethanol

C6H9NO — CID 18004297

IUPAC1-pyrrol-1-ylethanol
SMILESCC(O)n1cccc1
InChIInChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2-6,8H,1H3
InChIKeyOFMATQOFDVZKCS-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.00
Rot. Bonds1

About 1-pyrrol-1-ylethanol

1-pyrrol-1-ylethanol (PubChem CID 18004297) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-pyrrol-1-ylethanol.

Molecular Properties

Compound Name1-pyrrol-1-ylethanol
PubChem CID18004297
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-pyrrol-1-ylethanol
SMILESCC(O)n1cccc1
InChIInChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2-6,8H,1H3
InChIKeyOFMATQOFDVZKCS-UHFFFAOYSA-N
XLogP1.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylethanol?
The IUPAC name of 1-pyrrol-1-ylethanol (CID 18004297) is 1-pyrrol-1-ylethanol.
What is the SMILES notation for 1-pyrrol-1-ylethanol?
The canonical SMILES for 1-pyrrol-1-ylethanol is CC(O)n1cccc1.
What is the InChIKey of 1-pyrrol-1-ylethanol?
The InChIKey is OFMATQOFDVZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2-6,8H,1H3.
What are the key properties of 1-pyrrol-1-ylethanol?
1-pyrrol-1-ylethanol has a molecular weight of 111.14 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylethanol is sourced from PubChem (CID 18004297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).