2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid

C8H8N2O3 — CID 39237233

IUPAC2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C8H8N2O3/c11-7(12)6-4-2-1-3-5(4)9-8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyLIOGMNXAAFNBKO-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.04
Rot. Bonds1

About 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid

2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 39237233) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID39237233
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C8H8N2O3/c11-7(12)6-4-2-1-3-5(4)9-8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyLIOGMNXAAFNBKO-UHFFFAOYSA-N
XLogP-0.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid (CID 39237233) is 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is LIOGMNXAAFNBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(12)6-4-2-1-3-5(4)9-8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13).
What are the key properties of 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid?
2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 39237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).