1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol

C8H13NO4 — CID 91329744

IUPAC1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(OCCO)c1O
InChIInChI=1S/C8H13NO4/c1-5-6(2)8(12)9(7(5)11)13-4-3-10/h10-12H,3-4H2,1-2H3
InChIKeyCLZQWDWJWRPIDD-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.06
Rot. Bonds3

About 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol

1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol (PubChem CID 91329744) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol
PubChem CID91329744
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(OCCO)c1O
InChIInChI=1S/C8H13NO4/c1-5-6(2)8(12)9(7(5)11)13-4-3-10/h10-12H,3-4H2,1-2H3
InChIKeyCLZQWDWJWRPIDD-UHFFFAOYSA-N
XLogP-0.06
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) trifluoromethanesulfonate
CID 91561493
(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) acetate
CID 53764964
1-(Hydroxymethyl)-3,4-dimethylpyrrole-2,5-diol
CID 54194747
1,3,4-Trimethylpyrrole-2,5-diol
CID 54321733
1-Chloro-3,4-dimethylpyrrole-2,5-diol
CID 91100060
1-(2-Hydroxyethyl)-3,4-dimethylpyrrole-2,5-diol
CID 91300917
1-Methoxy-3,4-dimethylpyrrole-2,5-diol
CID 91357511
1-Ethoxy-3-methylpyrrole-2,5-diol
CID 91406812
1-Hydroxy-3,4-dimethylpyrrole-2,5-diol
CID 91413463
1-Ethyl-3,4-dimethylpyrrole-2,5-diol
CID 91502885
1-Tert-butyl-3,4-dimethylpyrrole-2,5-diol
CID 91545353
3,4-Dimethyl-1-propylpyrrole-2,5-diol
CID 123648728

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol (CID 91329744) is 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(OCCO)c1O.
What is the InChIKey of 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is CLZQWDWJWRPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5-6(2)8(12)9(7(5)11)13-4-3-10/h10-12H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol?
1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 187.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 91329744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).