5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione

C11H13FN2O3 — CID 10633764

IUPAC5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione
SMILESO=C1CCCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c12-7-6-14(11(17)13-10(7)16)8-4-2-1-3-5-9(8)15/h6,8H,1-5H2,(H,13,16,17)
InChIKeyURPUAQANDDAJDW-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.75
Rot. Bonds1

About 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione

5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione (PubChem CID 10633764) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione
PubChem CID10633764
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione
SMILESO=C1CCCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c12-7-6-14(11(17)13-10(7)16)8-4-2-1-3-5-9(8)15/h6,8H,1-5H2,(H,13,16,17)
InChIKeyURPUAQANDDAJDW-UHFFFAOYSA-N
XLogP0.75
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione (CID 10633764) is 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione is O=C1CCCCCC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione?
The InChIKey is URPUAQANDDAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-6-14(11(17)13-10(7)16)8-4-2-1-3-5-9(8)15/h6,8H,1-5H2,(H,13,16,17).
What are the key properties of 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione has a molecular weight of 240.23 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxocycloheptyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10633764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).