1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione

C8H6N2O4 — CID 57001223

IUPAC1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1n1c(O)ccc1O
InChIInChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-4,11-12H
InChIKeyUTYPEUVZYRWYBR-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.54
Rot. Bonds1

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

1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione (PubChem CID 57001223) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione
PubChem CID57001223
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1n1c(O)ccc1O
InChIInChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-4,11-12H
InChIKeyUTYPEUVZYRWYBR-UHFFFAOYSA-N
XLogP-0.54
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
(2,5-Dihydroxypyrrol-1-yl)-methylcarbamic acid
CID 57312252
1-Nitrosopyrrole-2,5-diol
CID 136025201
1-[(2,5-Dihydroxypyrrol-1-yl)-methylamino]pyrrole-2,5-diol
CID 53647765
(2,5-Dihydroxypyrrol-1-yl)urea
CID 53665703
N',N'-bis(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 53857863
N-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
CID 53864344
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-diol
CID 53866653
1-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54051975
N'-(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 54082843
N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
CID 54125293

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione (CID 57001223) is 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1n1c(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione?
The InChIKey is UTYPEUVZYRWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-4,11-12H.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione?
1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione has a molecular weight of 194.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 57001223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).