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

C9H11NO2 — CID 91057267

IUPAC3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol
SMILESC=Cc1c(C=C)c(O)n(C)c1O
InChIInChI=1S/C9H11NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5,11-12H,1-2H2,3H3
InChIKeyOXCPZXKHRVILBW-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.72
Rot. Bonds2

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

3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol (PubChem CID 91057267) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol
PubChem CID91057267
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol
SMILESC=Cc1c(C=C)c(O)n(C)c1O
InChIInChI=1S/C9H11NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5,11-12H,1-2H2,3H3
InChIKeyOXCPZXKHRVILBW-UHFFFAOYSA-N
XLogP1.72
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-Ethylpyrrole-2,5-diol
CID 54068298
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
CID 90855816
3,4-Dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
CID 90883535
1-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-diol
CID 91287767
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057
3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
CID 91549041
3-(3-Hydroxyprop-1-enyl)-1,4-dimethylpyrrole-2,5-diol
CID 123657621
1-(3,7-Dimethylocta-2,6-dienyl)pyrrole-2,5-diol
CID 53671195
1,3-Dimethylpyrrole-2,5-diol
CID 53675327
1-[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]-3,4-dimethylpyrrole-2,5-diol
CID 53796399

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol?
The IUPAC name of 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol (CID 91057267) is 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol.
What is the SMILES notation for 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol?
The canonical SMILES for 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol is C=Cc1c(C=C)c(O)n(C)c1O.
What is the InChIKey of 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol?
The InChIKey is OXCPZXKHRVILBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5,11-12H,1-2H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol?
3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol has a molecular weight of 165.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-methylpyrrole-2,5-diol is sourced from PubChem (CID 91057267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).