1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione

C10H10N2O5 — CID 91019258

IUPAC1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOn1c(O)ccc1O
InChIInChI=1S/C10H10N2O5/c13-7-1-2-8(14)11(7)5-6-17-12-9(15)3-4-10(12)16/h1-4,15-16H,5-6H2
InChIKeyVDOUHDOHRPMPDG-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.75
Rot. Bonds4

About 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione

1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione (PubChem CID 91019258) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione
PubChem CID91019258
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOn1c(O)ccc1O
InChIInChI=1S/C10H10N2O5/c13-7-1-2-8(14)11(7)5-6-17-12-9(15)3-4-10(12)16/h1-4,15-16H,5-6H2
InChIKeyVDOUHDOHRPMPDG-UHFFFAOYSA-N
XLogP-0.75
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
1-[8-(2,5-Dihydroxypyrrol-1-yl)oxyoctyl]pyrrole-2,5-dione
CID 53838131
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
(2,5-Dihydroxypyrrol-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 53928962
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
2-[3-(2,5-Dihydroxypyrrol-1-yl)-2,5-dioxopyrrol-1-yl]acetic acid
CID 53955204
1-[6-(2,5-Dihydroxypyrrol-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 53964846
2-(2,5-Dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 53967311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione (CID 91019258) is 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOn1c(O)ccc1O.
What is the InChIKey of 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione?
The InChIKey is VDOUHDOHRPMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-7-1-2-8(14)11(7)5-6-17-12-9(15)3-4-10(12)16/h1-4,15-16H,5-6H2.
What are the key properties of 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione?
1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione has a molecular weight of 238.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dihydroxypyrrol-1-yl)oxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 91019258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).