1-ethyl-3,4-dimethylpyrrole-2,5-diol

C8H13NO2 — CID 91502885

IUPAC1-ethyl-3,4-dimethylpyrrole-2,5-diol
SMILESCCn1c(O)c(C)c(C)c1O
InChIInChI=1S/C8H13NO2/c1-4-9-7(10)5(2)6(3)8(9)11/h10-11H,4H2,1-3H3
InChIKeyIXONXGJVIUDTEV-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.54
Rot. Bonds1

About 1-ethyl-3,4-dimethylpyrrole-2,5-diol

1-ethyl-3,4-dimethylpyrrole-2,5-diol (PubChem CID 91502885) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-ethyl-3,4-dimethylpyrrole-2,5-diol
PubChem CID91502885
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-ethyl-3,4-dimethylpyrrole-2,5-diol
SMILESCCn1c(O)c(C)c(C)c1O
InChIInChI=1S/C8H13NO2/c1-4-9-7(10)5(2)6(3)8(9)11/h10-11H,4H2,1-3H3
InChIKeyIXONXGJVIUDTEV-UHFFFAOYSA-N
XLogP1.54
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-diol
CID 91300917
1,3-diethyl-4,5-dimethylimidazole-2-thione
CID 11116724
1,3,4,5-tetramethylpyrrol-2-ol
CID 174432081
3,5-diethyl-4-hydroxy-1H-imidazol-2-one
CID 54554662
1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
CID 91000822
5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 176544199
1-ethyl-3-ethylsulfanylpyrrole-2,5-diol
CID 91139107
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one
CID 54115610
6,13-diethyl-5,7,12,14-tetramethyl-2,3,9,10-tetrathia-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
CID 118729228

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-ethyl-3,4-dimethylpyrrole-2,5-diol (CID 91502885) is 1-ethyl-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-ethyl-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-ethyl-3,4-dimethylpyrrole-2,5-diol is CCn1c(O)c(C)c(C)c1O.
What is the InChIKey of 1-ethyl-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is IXONXGJVIUDTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-9-7(10)5(2)6(3)8(9)11/h10-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethylpyrrole-2,5-diol?
1-ethyl-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 155.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 91502885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).