1-(2,2-dimethylpropyl)pyrrole-2,5-diol

C9H15NO2 — CID 57126195

IUPAC1-(2,2-dimethylpropyl)pyrrole-2,5-diol
SMILESCC(C)(C)Cn1c(O)ccc1O
InChIInChI=1S/C9H15NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5,11-12H,6H2,1-3H3
InChIKeyXEUGONBPNCUBSG-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrrole-2,5-diol

1-(2,2-dimethylpropyl)pyrrole-2,5-diol (PubChem CID 57126195) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrrole-2,5-diol
PubChem CID57126195
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,2-dimethylpropyl)pyrrole-2,5-diol
SMILESCC(C)(C)Cn1c(O)ccc1O
InChIInChI=1S/C9H15NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5,11-12H,6H2,1-3H3
InChIKeyXEUGONBPNCUBSG-UHFFFAOYSA-N
XLogP1.95
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2,5-bis[(trimethylsilyl)oxy]-1H-pyrrole
CID 13310355
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
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
2-(2,5-Dihydroxypyrrol-1-yl)ethanesulfonic acid
CID 54209766

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrrole-2,5-diol (CID 57126195) is 1-(2,2-dimethylpropyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrrole-2,5-diol is CC(C)(C)Cn1c(O)ccc1O.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrrole-2,5-diol?
The InChIKey is XEUGONBPNCUBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5,11-12H,6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)pyrrole-2,5-diol?
1-(2,2-dimethylpropyl)pyrrole-2,5-diol has a molecular weight of 169.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrrole-2,5-diol is sourced from PubChem (CID 57126195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).