4-acetylpyrrolidine-2,3-dione

C6H7NO3 — CID 57298307

IUPAC4-acetylpyrrolidine-2,3-dione
SMILESCC(=O)C1CNC(=O)C1=O
InChIInChI=1S/C6H7NO3/c1-3(8)4-2-7-6(10)5(4)9/h4H,2H2,1H3,(H,7,10)
InChIKeyUTIDJTJSPXDDBY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.11
Rot. Bonds1

About 4-acetylpyrrolidine-2,3-dione

4-acetylpyrrolidine-2,3-dione (PubChem CID 57298307) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-acetylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-acetylpyrrolidine-2,3-dione
PubChem CID57298307
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-acetylpyrrolidine-2,3-dione
SMILESCC(=O)C1CNC(=O)C1=O
InChIInChI=1S/C6H7NO3/c1-3(8)4-2-7-6(10)5(4)9/h4H,2H2,1H3,(H,7,10)
InChIKeyUTIDJTJSPXDDBY-UHFFFAOYSA-N
XLogP-1.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylpyrrolidine-2,4-dione
CID 19438038
3-Acetylpyrrolidine-2,4-dione
CID 5132792
4-Acetylpyrrolidine-2,3,5-trione
CID 364529
(S)-5-Methylpyrrolidine-2,4-dione
CID 10877081
4-Acetylpyrrolidin-2-one
CID 22507608
3,3-Diethyl-pyrrolidine-2,4-dione
CID 581373
3-Acetylpyrrolidine-2,5-dione
CID 15178180
(S)-5-isopropylpyrrolidine-2,4-dione
CID 15598396
5-Isopropylpyrrolidine-2,4-dione
CID 15598397
N-(3-methyl-2,4-dioxopentyl)propanamide
CID 20660440
3-Methylpyrrolidine-2,4-dione
CID 21251781
3-Acetylpyrrolidin-2-one
CID 23009872

Frequently Asked Questions

What is the IUPAC name of 4-acetylpyrrolidine-2,3-dione?
The IUPAC name of 4-acetylpyrrolidine-2,3-dione (CID 57298307) is 4-acetylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-acetylpyrrolidine-2,3-dione?
The canonical SMILES for 4-acetylpyrrolidine-2,3-dione is CC(=O)C1CNC(=O)C1=O.
What is the InChIKey of 4-acetylpyrrolidine-2,3-dione?
The InChIKey is UTIDJTJSPXDDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-3(8)4-2-7-6(10)5(4)9/h4H,2H2,1H3,(H,7,10).
What are the key properties of 4-acetylpyrrolidine-2,3-dione?
4-acetylpyrrolidine-2,3-dione has a molecular weight of 141.13 g/mol, XLogP of -1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpyrrolidine-2,3-dione is sourced from PubChem (CID 57298307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).