4-ethenyl-1-methylpyrrol-2-ol

C7H9NO — CID 91519188

IUPAC4-ethenyl-1-methylpyrrol-2-ol
SMILESC=Cc1cc(O)n(C)c1
InChIInChI=1S/C7H9NO/c1-3-6-4-7(9)8(2)5-6/h3-5,9H,1H2,2H3
InChIKeyWXXHKXTYKZBMGR-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.37
Rot. Bonds1

About 4-ethenyl-1-methylpyrrol-2-ol

4-ethenyl-1-methylpyrrol-2-ol (PubChem CID 91519188) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-ethenyl-1-methylpyrrol-2-ol.

Molecular Properties

Compound Name4-ethenyl-1-methylpyrrol-2-ol
PubChem CID91519188
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-ethenyl-1-methylpyrrol-2-ol
SMILESC=Cc1cc(O)n(C)c1
InChIInChI=1S/C7H9NO/c1-3-6-4-7(9)8(2)5-6/h3-5,9H,1H2,2H3
InChIKeyWXXHKXTYKZBMGR-UHFFFAOYSA-N
XLogP1.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
1-Methyl-1H-pyrrol-2-ol
CID 13795008
Dioxypyrrole
CID 21225236
1-Methylpyrrole-2,5-diol
CID 21326740
N-acetyl-2-hydroxypyrrole
CID 53746513
1-Ethylpyrrole-2,5-diol
CID 54068298
tert-butyl 2-hydroxy-1H-pyrrole-1-carboxylate
CID 54356699
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
1-Methyl-4-(trifluoromethyl)pyrrol-2-ol
CID 11321153
1-Fluoropyrrol-2-ol
CID 18185037
4-methyl-1H-pyrrol-2-ol
CID 70032924
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methylpyrrol-2-ol?
The IUPAC name of 4-ethenyl-1-methylpyrrol-2-ol (CID 91519188) is 4-ethenyl-1-methylpyrrol-2-ol.
What is the SMILES notation for 4-ethenyl-1-methylpyrrol-2-ol?
The canonical SMILES for 4-ethenyl-1-methylpyrrol-2-ol is C=Cc1cc(O)n(C)c1.
What is the InChIKey of 4-ethenyl-1-methylpyrrol-2-ol?
The InChIKey is WXXHKXTYKZBMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-6-4-7(9)8(2)5-6/h3-5,9H,1H2,2H3.
What are the key properties of 4-ethenyl-1-methylpyrrol-2-ol?
4-ethenyl-1-methylpyrrol-2-ol has a molecular weight of 123.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methylpyrrol-2-ol is sourced from PubChem (CID 91519188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).