1-ethoxy-2-methylpyrazolidine-3,4-dione

C6H10N2O3 — CID 67566328

IUPAC1-ethoxy-2-methylpyrazolidine-3,4-dione
SMILESCCON1CC(=O)C(=O)N1C
InChIInChI=1S/C6H10N2O3/c1-3-11-8-4-5(9)6(10)7(8)2/h3-4H2,1-2H3
InChIKeyWSODARNSFGULBE-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.80
Rot. Bonds2

About 1-ethoxy-2-methylpyrazolidine-3,4-dione

1-ethoxy-2-methylpyrazolidine-3,4-dione (PubChem CID 67566328) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-ethoxy-2-methylpyrazolidine-3,4-dione.

Molecular Properties

Compound Name1-ethoxy-2-methylpyrazolidine-3,4-dione
PubChem CID67566328
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-ethoxy-2-methylpyrazolidine-3,4-dione
SMILESCCON1CC(=O)C(=O)N1C
InChIInChI=1S/C6H10N2O3/c1-3-11-8-4-5(9)6(10)7(8)2/h3-4H2,1-2H3
InChIKeyWSODARNSFGULBE-UHFFFAOYSA-N
XLogP-0.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethylpyrazolidine-3,4-dione
CID 22757021
2-Methyl-1-(2-oxopropyl)pyrazolidin-3-one
CID 105430495

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylpyrazolidine-3,4-dione?
The IUPAC name of 1-ethoxy-2-methylpyrazolidine-3,4-dione (CID 67566328) is 1-ethoxy-2-methylpyrazolidine-3,4-dione.
What is the SMILES notation for 1-ethoxy-2-methylpyrazolidine-3,4-dione?
The canonical SMILES for 1-ethoxy-2-methylpyrazolidine-3,4-dione is CCON1CC(=O)C(=O)N1C.
What is the InChIKey of 1-ethoxy-2-methylpyrazolidine-3,4-dione?
The InChIKey is WSODARNSFGULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-11-8-4-5(9)6(10)7(8)2/h3-4H2,1-2H3.
What are the key properties of 1-ethoxy-2-methylpyrazolidine-3,4-dione?
1-ethoxy-2-methylpyrazolidine-3,4-dione has a molecular weight of 158.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylpyrazolidine-3,4-dione is sourced from PubChem (CID 67566328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).