cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid

C8H10N2O3 — CID 175268591

IUPACcyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESC1CC1.O=C(O)c1cc(=O)[nH]cn1
InChIInChI=1S/C5H4N2O3.C3H6/c8-4-1-3(5(9)10)6-2-7-4;1-2-3-1/h1-2H,(H,9,10)(H,6,7,8);1-3H2
InChIKeyVZZPOTWSRPHOIM-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.64
Rot. Bonds1

About cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid

cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 175268591) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Namecyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID175268591
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namecyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESC1CC1.O=C(O)c1cc(=O)[nH]cn1
InChIInChI=1S/C5H4N2O3.C3H6/c8-4-1-3(5(9)10)6-2-7-4;1-2-3-1/h1-2H,(H,9,10)(H,6,7,8);1-3H2
InChIKeyVZZPOTWSRPHOIM-UHFFFAOYSA-N
XLogP0.64
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid (CID 175268591) is cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid is C1CC1.O=C(O)c1cc(=O)[nH]cn1.
What is the InChIKey of cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is VZZPOTWSRPHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3.C3H6/c8-4-1-3(5(9)10)6-2-7-4;1-2-3-1/h1-2H,(H,9,10)(H,6,7,8);1-3H2.
What are the key properties of cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid?
cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 175268591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).