3-hydroxy-1-propylpyrrolidine-2,5-dione

C7H11NO3 — CID 86248906

IUPAC3-hydroxy-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(O)C1=O
InChIInChI=1S/C7H11NO3/c1-2-3-8-6(10)4-5(9)7(8)11/h5,9H,2-4H2,1H3
InChIKeyKFANPYOUEODIKL-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.48
Rot. Bonds2

About 3-hydroxy-1-propylpyrrolidine-2,5-dione

3-hydroxy-1-propylpyrrolidine-2,5-dione (PubChem CID 86248906) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-hydroxy-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-propylpyrrolidine-2,5-dione
PubChem CID86248906
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-hydroxy-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(O)C1=O
InChIInChI=1S/C7H11NO3/c1-2-3-8-6(10)4-5(9)7(8)11/h5,9H,2-4H2,1H3
InChIKeyKFANPYOUEODIKL-UHFFFAOYSA-N
XLogP-0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-1-propylpyrrolidine-2,5-dione (CID 86248906) is 3-hydroxy-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-propylpyrrolidine-2,5-dione?
The InChIKey is KFANPYOUEODIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-8-6(10)4-5(9)7(8)11/h5,9H,2-4H2,1H3.
What are the key properties of 3-hydroxy-1-propylpyrrolidine-2,5-dione?
3-hydroxy-1-propylpyrrolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 86248906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).