1,3,3-trihydroxypyrrolidine-2,5-dione

C4H5NO5 — CID 166729985

IUPAC1,3,3-trihydroxypyrrolidine-2,5-dione
SMILESO=C1CC(O)(O)C(=O)N1O
InChIInChI=1S/C4H5NO5/c6-2-1-4(8,9)3(7)5(2)10/h8-10H,1H2
InChIKeySUWRHHRVLYPVAE-UHFFFAOYSA-N
MW147.09 g/mol
LogP-2.18
Rot. Bonds

About 1,3,3-trihydroxypyrrolidine-2,5-dione

1,3,3-trihydroxypyrrolidine-2,5-dione (PubChem CID 166729985) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is 1,3,3-trihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3,3-trihydroxypyrrolidine-2,5-dione
PubChem CID166729985
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Name1,3,3-trihydroxypyrrolidine-2,5-dione
SMILESO=C1CC(O)(O)C(=O)N1O
InChIInChI=1S/C4H5NO5/c6-2-1-4(8,9)3(7)5(2)10/h8-10H,1H2
InChIKeySUWRHHRVLYPVAE-UHFFFAOYSA-N
XLogP-2.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1,3,3-trihydroxypyrrolidine-2,5-dione (CID 166729985) is 1,3,3-trihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1,3,3-trihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1,3,3-trihydroxypyrrolidine-2,5-dione is O=C1CC(O)(O)C(=O)N1O.
What is the InChIKey of 1,3,3-trihydroxypyrrolidine-2,5-dione?
The InChIKey is SUWRHHRVLYPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c6-2-1-4(8,9)3(7)5(2)10/h8-10H,1H2.
What are the key properties of 1,3,3-trihydroxypyrrolidine-2,5-dione?
1,3,3-trihydroxypyrrolidine-2,5-dione has a molecular weight of 147.09 g/mol, XLogP of -2.18, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 166729985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).