(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate

C11H10N2O6 — CID 54288085

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCC(C(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O6/c1-6(12-7(14)2-3-8(12)15)11(18)19-13-9(16)4-5-10(13)17/h2-6,16-17H,1H3
InChIKeyRVORFCSMSPBCTG-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.83
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate

(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 54288085) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID54288085
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCC(C(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O6/c1-6(12-7(14)2-3-8(12)15)11(18)19-13-9(16)4-5-10(13)17/h2-6,16-17H,1H3
InChIKeyRVORFCSMSPBCTG-UHFFFAOYSA-N
XLogP-0.83
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
2-[3-(2,5-Dihydroxypyrrol-1-yl)-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid
CID 57319380
(2,5-Dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387
(2,5-dihydroxypyrrol-1-yl) 1-methyl-2H-pyridine-3-carboxylate
CID 91104961
(2,5-dihydroxypyrrol-1-yl) 1-(trideuteriomethyl)-2H-pyridine-3-carboxylate
CID 91174749
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
[3-(2,5-Dihydroxypyrrol-1-yl)-2-oxoazetidin-1-yl] acetate
CID 53672248
(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate (CID 54288085) is (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate is CC(C(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is RVORFCSMSPBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c1-6(12-7(14)2-3-8(12)15)11(18)19-13-9(16)4-5-10(13)17/h2-6,16-17H,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate?
(2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 266.21 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 54288085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).