1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid

C10H12N2O3 — CID 82235912

IUPAC1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ncccc2=O)CCCC1
InChIInChI=1S/C10H12N2O3/c13-8-4-3-7-11-12(8)10(9(14)15)5-1-2-6-10/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyZVHIFWFQCQODJI-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.60
Rot. Bonds2

About 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid

1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82235912) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82235912
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ncccc2=O)CCCC1
InChIInChI=1S/C10H12N2O3/c13-8-4-3-7-11-12(8)10(9(14)15)5-1-2-6-10/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyZVHIFWFQCQODJI-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid (CID 82235912) is 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(n2ncccc2=O)CCCC1.
What is the InChIKey of 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZVHIFWFQCQODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8-4-3-7-11-12(8)10(9(14)15)5-1-2-6-10/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid?
1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxopyridazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82235912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).