3,4-bis(ethenyl)-1H-pyrrole-2,5-diol

C8H9NO2 — CID 123594441

IUPAC3,4-bis(ethenyl)-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1C=C
InChIInChI=1S/C8H9NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3-4,9-11H,1-2H2
InChIKeyYNZKADVYCBDUBB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.71
Rot. Bonds2

About 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol

3,4-bis(ethenyl)-1H-pyrrole-2,5-diol (PubChem CID 123594441) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1H-pyrrole-2,5-diol
PubChem CID123594441
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3,4-bis(ethenyl)-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1C=C
InChIInChI=1S/C8H9NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3-4,9-11H,1-2H2
InChIKeyYNZKADVYCBDUBB-UHFFFAOYSA-N
XLogP1.71
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dihydro-2H-isoindole-1,3-diol
CID 53631027
3-ethenyl-1H-pyrrole-2,5-diol
CID 53930526
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
CID 54515667
3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
CID 91549041
3,4-dimethyl-1H-pyrrole-2,5-diol
CID 53631232
4,5-dihydro-2H-isoindole-1,3-diol
CID 53631313
3-ethyl-4-methyl-1H-pyrrole-2,5-diol
CID 53656599
3,4-diethyl-1H-pyrrole-2,5-diol
CID 53684610
3-methyl-1H-pyrrole-2,5-diol
CID 53687318
3-prop-1-enyl-1H-pyrrole-2,5-diol
CID 53847731
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
3-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
CID 53926541

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol (CID 123594441) is 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol is C=Cc1c(O)[nH]c(O)c1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol?
The InChIKey is YNZKADVYCBDUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-5-6(4-2)8(11)9-7(5)10/h3-4,9-11H,1-2H2.
What are the key properties of 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol?
3,4-bis(ethenyl)-1H-pyrrole-2,5-diol has a molecular weight of 151.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 123594441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).