1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione

C8H8N2O5 — CID 19989411

IUPAC1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H3NO2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3/h8H,1-2H2;1-2H,(H,5,6,7)
InChIKeySUMXKTYOTRXZDA-UHFFFAOYSA-N
MW212.16 g/mol
LogP-1.28
Rot. Bonds

About 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione

1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione (PubChem CID 19989411) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
PubChem CID19989411
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H3NO2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3/h8H,1-2H2;1-2H,(H,5,6,7)
InChIKeySUMXKTYOTRXZDA-UHFFFAOYSA-N
XLogP-1.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
1-Hydroxypyrrolidine-2,5-dione;prop-2-enamide
CID 67303287
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
1-(2,5-Dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
CID 126595994
(2,5-Dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
CID 134308868
(2,5-Dioxopyrrolidin-1-yl) butanoate;pyrrole-2,5-dione
CID 139513214
N'-hydroxy-N'-prop-2-enoylbutanediamide
CID 151385542
1-Aminooxypyrrolidine-2,5-dione;1-methoxypyrrole-2,5-dione
CID 153336194
Ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 159107221
N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 159614387

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione (CID 19989411) is 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione is O=C1C=CC(=O)N1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
The InChIKey is SUMXKTYOTRXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C4H3NO2/c6-3-1-2-4(7)5(3)8;6-3-1-2-4(7)5-3/h8H,1-2H2;1-2H,(H,5,6,7).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione?
1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione has a molecular weight of 212.16 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 19989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).