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

C9H8N2O4 — CID 91523301

IUPAC1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cn1c(O)ccc1O
InChIInChI=1S/C9H8N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-13H,5H2
InChIKeyQLISUTKDGNPTTG-UHFFFAOYSA-N
MW208.17 g/mol
LogP-0.22
Rot. Bonds2

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

1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione (PubChem CID 91523301) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione
PubChem CID91523301
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cn1c(O)ccc1O
InChIInChI=1S/C9H8N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-13H,5H2
InChIKeyQLISUTKDGNPTTG-UHFFFAOYSA-N
XLogP-0.22
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-0.22
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) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 54505583
2,5-Dihydroxypyrrole-1-carboxamide
CID 53694232
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
1-[1-(2,5-Dihydroxypyrrol-1-yl)propyl]pyrrole-2,5-diol
CID 53807427
1-[(Dimethylamino)methyl]pyrrole-2,5-diol
CID 53928629
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
1-[4-(2,5-Dihydroxypyrrol-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
CID 54087634
Bis(2,5-dihydroxypyrrol-1-yl)methanone
CID 54196158
1-(2,5-Dihydroxypyrrol-1-yl)prop-2-en-1-one
CID 54260308

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione (CID 91523301) is 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1Cn1c(O)ccc1O.
What is the InChIKey of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione?
The InChIKey is QLISUTKDGNPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-13H,5H2.
What are the key properties of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione?
1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione has a molecular weight of 208.17 g/mol, XLogP of -0.22, 2 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)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 91523301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).