1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

C10H16N2O4 — CID 106671986

IUPAC1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CC(O)C(O)C1
InChIInChI=1S/C10H16N2O4/c13-7-5-11(6-8(7)14)3-4-12-9(15)1-2-10(12)16/h7-8,13-14H,1-6H2
InChIKeyAUXHDSDPGKPTPB-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.83
Rot. Bonds3

About 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 106671986) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID106671986
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CC(O)C(O)C1
InChIInChI=1S/C10H16N2O4/c13-7-5-11(6-8(7)14)3-4-12-9(15)1-2-10(12)16/h7-8,13-14H,1-6H2
InChIKeyAUXHDSDPGKPTPB-UHFFFAOYSA-N
XLogP-1.83
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 106671986) is 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CC(O)C(O)C1.
What is the InChIKey of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is AUXHDSDPGKPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-7-5-11(6-8(7)14)3-4-12-9(15)1-2-10(12)16/h7-8,13-14H,1-6H2.
What are the key properties of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 106671986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).