1-propanoylpyrrolidine-2,4-dione

C7H9NO3 — CID 90208032

IUPAC1-propanoylpyrrolidine-2,4-dione
SMILESCCC(=O)N1CC(=O)CC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(10)8-4-5(9)3-7(8)11/h2-4H2,1H3
InChIKeyALPLEQAVZUGVFL-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.28
Rot. Bonds1

About 1-propanoylpyrrolidine-2,4-dione

1-propanoylpyrrolidine-2,4-dione (PubChem CID 90208032) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-propanoylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-propanoylpyrrolidine-2,4-dione
PubChem CID90208032
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-propanoylpyrrolidine-2,4-dione
SMILESCCC(=O)N1CC(=O)CC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(10)8-4-5(9)3-7(8)11/h2-4H2,1H3
InChIKeyALPLEQAVZUGVFL-UHFFFAOYSA-N
XLogP-0.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propanoylpyrrolidine-2,4-dione?
The IUPAC name of 1-propanoylpyrrolidine-2,4-dione (CID 90208032) is 1-propanoylpyrrolidine-2,4-dione.
What is the SMILES notation for 1-propanoylpyrrolidine-2,4-dione?
The canonical SMILES for 1-propanoylpyrrolidine-2,4-dione is CCC(=O)N1CC(=O)CC1=O.
What is the InChIKey of 1-propanoylpyrrolidine-2,4-dione?
The InChIKey is ALPLEQAVZUGVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-6(10)8-4-5(9)3-7(8)11/h2-4H2,1H3.
What are the key properties of 1-propanoylpyrrolidine-2,4-dione?
1-propanoylpyrrolidine-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylpyrrolidine-2,4-dione is sourced from PubChem (CID 90208032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).