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

C6H10N2O2 — CID 54538449

IUPAC1-(dimethylamino)pyrrole-2,5-diol
SMILESCN(C)n1c(O)ccc1O
InChIInChI=1S/C6H10N2O2/c1-7(2)8-5(9)3-4-6(8)10/h3-4,9-10H,1-2H3
InChIKeyZBKRWGSBRWQNKE-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.10
Rot. Bonds1

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

1-(dimethylamino)pyrrole-2,5-diol (PubChem CID 54538449) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(dimethylamino)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(dimethylamino)pyrrole-2,5-diol
PubChem CID54538449
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-(dimethylamino)pyrrole-2,5-diol
SMILESCN(C)n1c(O)ccc1O
InChIInChI=1S/C6H10N2O2/c1-7(2)8-5(9)3-4-6(8)10/h3-4,9-10H,1-2H3
InChIKeyZBKRWGSBRWQNKE-UHFFFAOYSA-N
XLogP0.10
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
[(2,5-Dihydroxypyrrol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium
CID 54294914
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)pyrrole-2,5-diol?
The IUPAC name of 1-(dimethylamino)pyrrole-2,5-diol (CID 54538449) is 1-(dimethylamino)pyrrole-2,5-diol.
What is the SMILES notation for 1-(dimethylamino)pyrrole-2,5-diol?
The canonical SMILES for 1-(dimethylamino)pyrrole-2,5-diol is CN(C)n1c(O)ccc1O.
What is the InChIKey of 1-(dimethylamino)pyrrole-2,5-diol?
The InChIKey is ZBKRWGSBRWQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7(2)8-5(9)3-4-6(8)10/h3-4,9-10H,1-2H3.
What are the key properties of 1-(dimethylamino)pyrrole-2,5-diol?
1-(dimethylamino)pyrrole-2,5-diol has a molecular weight of 142.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pyrrole-2,5-diol is sourced from PubChem (CID 54538449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).