3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol

C8H11NO2 — CID 54515667

IUPAC3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1CC
InChIInChI=1S/C8H11NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3,9-11H,1,4H2,2H3
InChIKeyYMFXQQNVNXIDJE-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.63
Rot. Bonds2

About 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol

3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol (PubChem CID 54515667) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
PubChem CID54515667
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1CC
InChIInChI=1S/C8H11NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3,9-11H,1,4H2,2H3
InChIKeyYMFXQQNVNXIDJE-UHFFFAOYSA-N
XLogP1.63
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol (CID 54515667) is 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol is C=Cc1c(O)[nH]c(O)c1CC.
What is the InChIKey of 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol?
The InChIKey is YMFXQQNVNXIDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3,9-11H,1,4H2,2H3.
What are the key properties of 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol?
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol has a molecular weight of 153.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54515667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).