3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid

C12H12N2O3 — CID 81167355

IUPAC3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NC(=O)C1(CCC1)N2
InChIInChI=1S/C12H12N2O3/c15-10(16)7-2-3-8-9(6-7)13-11(17)12(14-8)4-1-5-12/h2-3,6,14H,1,4-5H2,(H,13,17)(H,15,16)
InChIKeyDAFPHIHTNIVANO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.67
Rot. Bonds1

About 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid

3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid (PubChem CID 81167355) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid.

Molecular Properties

Compound Name3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
PubChem CID81167355
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NC(=O)C1(CCC1)N2
InChIInChI=1S/C12H12N2O3/c15-10(16)7-2-3-8-9(6-7)13-11(17)12(14-8)4-1-5-12/h2-3,6,14H,1,4-5H2,(H,13,17)(H,15,16)
InChIKeyDAFPHIHTNIVANO-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid?
The IUPAC name of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid (CID 81167355) is 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid.
What is the SMILES notation for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid?
The canonical SMILES for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid is O=C(O)c1ccc2c(c1)NC(=O)C1(CCC1)N2.
What is the InChIKey of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid?
The InChIKey is DAFPHIHTNIVANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10(16)7-2-3-8-9(6-7)13-11(17)12(14-8)4-1-5-12/h2-3,6,14H,1,4-5H2,(H,13,17)(H,15,16).
What are the key properties of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid?
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid is sourced from PubChem (CID 81167355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).