1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione

C9H14N2O3 — CID 174584636

IUPAC1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1N1CCC(O)CC1
InChIInChI=1S/C9H14N2O3/c12-7-3-5-10(6-4-7)11-8(13)1-2-9(11)14/h7,12H,1-6H2
InChIKeyTZLHTSUZEXJXHJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.49
Rot. Bonds1

About 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione

1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 174584636) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID174584636
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1N1CCC(O)CC1
InChIInChI=1S/C9H14N2O3/c12-7-3-5-10(6-4-7)11-8(13)1-2-9(11)14/h7,12H,1-6H2
InChIKeyTZLHTSUZEXJXHJ-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
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 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione (CID 174584636) is 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is TZLHTSUZEXJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-3-5-10(6-4-7)11-8(13)1-2-9(11)14/h7,12H,1-6H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 174584636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).