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

C9H10FN3O3 — CID 88798424

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN3O3/c10-6-4-13(9(16)11-8(6)15)7-2-1-3-12(7)5-14/h4-5,7H,1-3H2,(H,11,15,16)
InChIKeyMNYTXFJJOARESQ-UHFFFAOYSA-N
MW227.19 g/mol
LogP-0.57
Rot. Bonds2

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde (PubChem CID 88798424) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde
PubChem CID88798424
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN3O3/c10-6-4-13(9(16)11-8(6)15)7-2-1-3-12(7)5-14/h4-5,7H,1-3H2,(H,11,15,16)
InChIKeyMNYTXFJJOARESQ-UHFFFAOYSA-N
XLogP-0.57
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde (CID 88798424) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde is O=CN1CCCC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde?
The InChIKey is MNYTXFJJOARESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c10-6-4-13(9(16)11-8(6)15)7-2-1-3-12(7)5-14/h4-5,7H,1-3H2,(H,11,15,16).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde has a molecular weight of 227.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 88798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).