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

C7H9NO4 — CID 18938729

IUPAC1-hydroxy-3-propanoylpyrrolidine-2,5-dione
SMILESCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C7H9NO4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4,12H,2-3H2,1H3
InChIKeyQCQNIBVEYFYPOI-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.27
Rot. Bonds2

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

1-hydroxy-3-propanoylpyrrolidine-2,5-dione (PubChem CID 18938729) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-hydroxy-3-propanoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-propanoylpyrrolidine-2,5-dione
PubChem CID18938729
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-hydroxy-3-propanoylpyrrolidine-2,5-dione
SMILESCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C7H9NO4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4,12H,2-3H2,1H3
InChIKeyQCQNIBVEYFYPOI-UHFFFAOYSA-N
XLogP-0.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-hydroxy-3-propanoylpyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-propanoylpyrrolidine-2,5-dione (CID 18938729) is 1-hydroxy-3-propanoylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-propanoylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-propanoylpyrrolidine-2,5-dione is CCC(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-propanoylpyrrolidine-2,5-dione?
The InChIKey is QCQNIBVEYFYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4,12H,2-3H2,1H3.
What are the key properties of 1-hydroxy-3-propanoylpyrrolidine-2,5-dione?
1-hydroxy-3-propanoylpyrrolidine-2,5-dione has a molecular weight of 171.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-propanoylpyrrolidine-2,5-dione is sourced from PubChem (CID 18938729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).