3-ethenyl-1-methylpyrrole-2,5-diol

C7H9NO2 — CID 91372334

IUPAC3-ethenyl-1-methylpyrrole-2,5-diol
SMILESC=Cc1cc(O)n(C)c1O
InChIInChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3-4,9-10H,1H2,2H3
InChIKeyFJLAKWPQFBYYSW-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.08
Rot. Bonds1

About 3-ethenyl-1-methylpyrrole-2,5-diol

3-ethenyl-1-methylpyrrole-2,5-diol (PubChem CID 91372334) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-ethenyl-1-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-ethenyl-1-methylpyrrole-2,5-diol
PubChem CID91372334
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-ethenyl-1-methylpyrrole-2,5-diol
SMILESC=Cc1cc(O)n(C)c1O
InChIInChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3-4,9-10H,1H2,2H3
InChIKeyFJLAKWPQFBYYSW-UHFFFAOYSA-N
XLogP1.08
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrrol-2-ol
CID 13795008
1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
3-ethenyl-1H-pyrrole-2,5-diol
CID 53930526
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methylpyrrole-2,5-diol?
The IUPAC name of 3-ethenyl-1-methylpyrrole-2,5-diol (CID 91372334) is 3-ethenyl-1-methylpyrrole-2,5-diol.
What is the SMILES notation for 3-ethenyl-1-methylpyrrole-2,5-diol?
The canonical SMILES for 3-ethenyl-1-methylpyrrole-2,5-diol is C=Cc1cc(O)n(C)c1O.
What is the InChIKey of 3-ethenyl-1-methylpyrrole-2,5-diol?
The InChIKey is FJLAKWPQFBYYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3-4,9-10H,1H2,2H3.
What are the key properties of 3-ethenyl-1-methylpyrrole-2,5-diol?
3-ethenyl-1-methylpyrrole-2,5-diol has a molecular weight of 139.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methylpyrrole-2,5-diol is sourced from PubChem (CID 91372334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).