3-acetyl-1-methylpyrrolidine-2,4-dione

C7H9NO3 — CID 15088154

IUPAC3-acetyl-1-methylpyrrolidine-2,4-dione
SMILESCC(=O)C1C(=O)CN(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4(9)6-5(10)3-8(2)7(6)11/h6H,3H2,1-2H3
InChIKeyHQEKTWIWHYSKBB-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.77
Rot. Bonds1

About 3-acetyl-1-methylpyrrolidine-2,4-dione

3-acetyl-1-methylpyrrolidine-2,4-dione (PubChem CID 15088154) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-acetyl-1-methylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-1-methylpyrrolidine-2,4-dione
PubChem CID15088154
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-acetyl-1-methylpyrrolidine-2,4-dione
SMILESCC(=O)C1C(=O)CN(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4(9)6-5(10)3-8(2)7(6)11/h6H,3H2,1-2H3
InChIKeyHQEKTWIWHYSKBB-UHFFFAOYSA-N
XLogP-0.77
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 ≤ 5-0.77
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 3-acetyl-1-methylpyrrolidine-2,4-dione?
The IUPAC name of 3-acetyl-1-methylpyrrolidine-2,4-dione (CID 15088154) is 3-acetyl-1-methylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-acetyl-1-methylpyrrolidine-2,4-dione?
The canonical SMILES for 3-acetyl-1-methylpyrrolidine-2,4-dione is CC(=O)C1C(=O)CN(C)C1=O.
What is the InChIKey of 3-acetyl-1-methylpyrrolidine-2,4-dione?
The InChIKey is HQEKTWIWHYSKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(9)6-5(10)3-8(2)7(6)11/h6H,3H2,1-2H3.
What are the key properties of 3-acetyl-1-methylpyrrolidine-2,4-dione?
3-acetyl-1-methylpyrrolidine-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 15088154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).