3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione

C9H14N2O3 — CID 107358243

IUPAC3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCC(O)C2)C1=O
InChIInChI=1S/C9H14N2O3/c1-10-8(13)4-7(9(10)14)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3
InChIKeyWIURMJLGKYVZLG-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.19
Rot. Bonds1

About 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione

3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 107358243) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID107358243
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCC(O)C2)C1=O
InChIInChI=1S/C9H14N2O3/c1-10-8(13)4-7(9(10)14)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3
InChIKeyWIURMJLGKYVZLG-UHFFFAOYSA-N
XLogP-1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione (CID 107358243) is 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCC(O)C2)C1=O.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is WIURMJLGKYVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-8(13)4-7(9(10)14)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione?
3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of -1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).