1-(1-ethoxyethyl)pyrrole-2,5-diol

C8H13NO3 — CID 54150198

IUPAC1-(1-ethoxyethyl)pyrrole-2,5-diol
SMILESCCOC(C)n1c(O)ccc1O
InChIInChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h4-6,10-11H,3H2,1-2H3
InChIKeyOHESKQJEUHJHNG-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.45
Rot. Bonds3

About 1-(1-ethoxyethyl)pyrrole-2,5-diol

1-(1-ethoxyethyl)pyrrole-2,5-diol (PubChem CID 54150198) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(1-ethoxyethyl)pyrrole-2,5-diol
PubChem CID54150198
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(1-ethoxyethyl)pyrrole-2,5-diol
SMILESCCOC(C)n1c(O)ccc1O
InChIInChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h4-6,10-11H,3H2,1-2H3
InChIKeyOHESKQJEUHJHNG-UHFFFAOYSA-N
XLogP1.45
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(1-ethoxyethyl)pyrrole-2,5-diol (CID 54150198) is 1-(1-ethoxyethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(1-ethoxyethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(1-ethoxyethyl)pyrrole-2,5-diol is CCOC(C)n1c(O)ccc1O.
What is the InChIKey of 1-(1-ethoxyethyl)pyrrole-2,5-diol?
The InChIKey is OHESKQJEUHJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h4-6,10-11H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)pyrrole-2,5-diol?
1-(1-ethoxyethyl)pyrrole-2,5-diol has a molecular weight of 171.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)pyrrole-2,5-diol is sourced from PubChem (CID 54150198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).