1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid

C10H12N2O4 — CID 79014957

IUPAC1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c13-8-7(9(14)15)5-12(10(16)11-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,13,16)
InChIKeyJTLKWRVYFISOMP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.35
Rot. Bonds2

About 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid

1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 79014957) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID79014957
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c13-8-7(9(14)15)5-12(10(16)11-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,13,16)
InChIKeyJTLKWRVYFISOMP-UHFFFAOYSA-N
XLogP0.35
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 79014957) is 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid is O=C(O)c1cn(C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is JTLKWRVYFISOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8-7(9(14)15)5-12(10(16)11-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,13,16).
What are the key properties of 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid?
1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 79014957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).