1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate

C12H16FN3O4 — CID 123798486

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O4/c1-2-9(20-11(18)8-4-3-5-14-8)16-6-7(13)10(17)15-12(16)19/h6,8-9,14H,2-5H2,1H3,(H,15,17,19)
InChIKeyZRJPOWSHQLGYAD-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.12
Rot. Bonds4

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate (PubChem CID 123798486) has the molecular formula C12H16FN3O4 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate
PubChem CID123798486
Molecular FormulaC12H16FN3O4
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O4/c1-2-9(20-11(18)8-4-3-5-14-8)16-6-7(13)10(17)15-12(16)19/h6,8-9,14H,2-5H2,1H3,(H,15,17,19)
InChIKeyZRJPOWSHQLGYAD-UHFFFAOYSA-N
XLogP-0.12
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate (CID 123798486) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate is CCC(OC(=O)C1CCCN1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate?
The InChIKey is ZRJPOWSHQLGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-2-9(20-11(18)8-4-3-5-14-8)16-6-7(13)10(17)15-12(16)19/h6,8-9,14H,2-5H2,1H3,(H,15,17,19).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate has a molecular weight of 285.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 123798486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).