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

C7H9NO2 — CID 91549041

IUPAC3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3,8-10H,1H2,2H3
InChIKeyIJSYSILXNBZBGI-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.38
Rot. Bonds1

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

3-ethenyl-4-methyl-1H-pyrrole-2,5-diol (PubChem CID 91549041) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
PubChem CID91549041
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
SMILESC=Cc1c(O)[nH]c(O)c1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3,8-10H,1H2,2H3
InChIKeyIJSYSILXNBZBGI-UHFFFAOYSA-N
XLogP1.38
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethenyl-1H-pyrrole-2,5-diol
CID 53930526
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
CID 54515667
3,4-dimethyl-1H-pyrrole-2,5-diol
CID 53631232
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
4,7-dimethylidene-2H-isoindole-1,3-diol
CID 54149270
3-hex-1-enyl-1H-pyrrole-2,5-diol
CID 54230941
3-but-2-enyl-4-methyl-1H-pyrrole-2,5-diol
CID 54294339

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol (CID 91549041) is 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol is C=Cc1c(O)[nH]c(O)c1C.
What is the InChIKey of 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol?
The InChIKey is IJSYSILXNBZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3,8-10H,1H2,2H3.
What are the key properties of 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol?
3-ethenyl-4-methyl-1H-pyrrole-2,5-diol has a molecular weight of 139.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91549041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).