1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione

C10H8FN3O5 — CID 90049658

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C1CCC(=O)N1CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H8FN3O5/c11-5-3-14(10(19)12-9(5)18)8(17)4-13-6(15)1-2-7(13)16/h3H,1-2,4H2,(H,12,18,19)
InChIKeyOTZAOHBFVFYZHF-UHFFFAOYSA-N
MW269.19 g/mol
LogP-1.54
Rot. Bonds2

About 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione

1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 90049658) has the molecular formula C10H8FN3O5 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione
PubChem CID90049658
Molecular FormulaC10H8FN3O5
Molecular Weight269.19 g/mol
Exact Mass269.04
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C1CCC(=O)N1CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H8FN3O5/c11-5-3-14(10(19)12-9(5)18)8(17)4-13-6(15)1-2-7(13)16/h3H,1-2,4H2,(H,12,18,19)
InChIKeyOTZAOHBFVFYZHF-UHFFFAOYSA-N
XLogP-1.54
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione (CID 90049658) is 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione is O=C1CCC(=O)N1CC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is OTZAOHBFVFYZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O5/c11-5-3-14(10(19)12-9(5)18)8(17)4-13-6(15)1-2-7(13)16/h3H,1-2,4H2,(H,12,18,19).
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 269.19 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 90049658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).