1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione

C8H12N2O3 — CID 59881295

IUPAC1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CCCN1C(C)=O
InChIInChI=1S/C8H12N2O3/c1-6(11)8(13)10-5-3-4-9(10)7(2)12/h3-5H2,1-2H3
InChIKeyLOZRRBKUADLWFI-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.43
Rot. Bonds1

About 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione

1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione (PubChem CID 59881295) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione.

Molecular Properties

Compound Name1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione
PubChem CID59881295
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CCCN1C(C)=O
InChIInChI=1S/C8H12N2O3/c1-6(11)8(13)10-5-3-4-9(10)7(2)12/h3-5H2,1-2H3
InChIKeyLOZRRBKUADLWFI-UHFFFAOYSA-N
XLogP-0.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-Diacetylpyrazolidin-4-one
CID 16108775
1,1'-(Pyrazolidine-1,2-diyl)diethanone
CID 15528871
1-Acetyl-2-methylpyrazolidin-3-one
CID 18183469
1,2-Dimethylpyrazolidine-3,4-dione
CID 22757021
Methyl 2-(2-oxopropanoyl)pyrazolidine-1-carboxylate
CID 59881293
1-(2-Pent-4-ynoylpyrazolidin-1-yl)propane-1,2-dione
CID 59881300
1-(2-Methylpyrazolidin-1-yl)propane-1,2-dione
CID 59881304
2-Methyl-1-(2-oxopropyl)pyrazolidin-3-one
CID 105430495
1,5-Dimethyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105434480
2-Methyl-1-(3-oxobutyl)pyrazolidin-3-one
CID 105434501
2-(3-Oxo-2-propylpyrazolidin-1-yl)acetaldehyde
CID 105434503
2-Ethyl-1-(2-oxopropyl)pyrazolidin-3-one
CID 105434504

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione?
The IUPAC name of 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione (CID 59881295) is 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione.
What is the SMILES notation for 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione?
The canonical SMILES for 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione is CC(=O)C(=O)N1CCCN1C(C)=O.
What is the InChIKey of 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione?
The InChIKey is LOZRRBKUADLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)8(13)10-5-3-4-9(10)7(2)12/h3-5H2,1-2H3.
What are the key properties of 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione?
1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione has a molecular weight of 184.19 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylpyrazolidin-1-yl)propane-1,2-dione is sourced from PubChem (CID 59881295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).