1-(2,4-dioxopentyl)pyrazolidine-3,5-dione

C8H10N2O4 — CID 67895809

IUPAC1-(2,4-dioxopentyl)pyrazolidine-3,5-dione
SMILESCC(=O)CC(=O)CN1NC(=O)CC1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)2-6(12)4-10-8(14)3-7(13)9-10/h2-4H2,1H3,(H,9,13)
InChIKeyAYVYSPUFMFDIFJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.20
Rot. Bonds4

About 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione

1-(2,4-dioxopentyl)pyrazolidine-3,5-dione (PubChem CID 67895809) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(2,4-dioxopentyl)pyrazolidine-3,5-dione
PubChem CID67895809
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(2,4-dioxopentyl)pyrazolidine-3,5-dione
SMILESCC(=O)CC(=O)CN1NC(=O)CC1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)2-6(12)4-10-8(14)3-7(13)9-10/h2-4H2,1H3,(H,9,13)
InChIKeyAYVYSPUFMFDIFJ-UHFFFAOYSA-N
XLogP-1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione?
The IUPAC name of 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione (CID 67895809) is 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione is CC(=O)CC(=O)CN1NC(=O)CC1=O.
What is the InChIKey of 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione?
The InChIKey is AYVYSPUFMFDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)2-6(12)4-10-8(14)3-7(13)9-10/h2-4H2,1H3,(H,9,13).
What are the key properties of 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione?
1-(2,4-dioxopentyl)pyrazolidine-3,5-dione has a molecular weight of 198.18 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxopentyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 67895809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).