4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid

C12H12N2O3 — CID 2766152

IUPAC4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NC(=O)C1CCCN21
InChIInChI=1S/C12H12N2O3/c15-11-10-2-1-5-14(10)9-4-3-7(12(16)17)6-8(9)13-11/h3-4,6,10H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyILCIRRSQEUVMSA-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.31
Rot. Bonds1

About 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid

4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (PubChem CID 2766152) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
PubChem CID2766152
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NC(=O)C1CCCN21
InChIInChI=1S/C12H12N2O3/c15-11-10-2-1-5-14(10)9-4-3-7(12(16)17)6-8(9)13-11/h3-4,6,10H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyILCIRRSQEUVMSA-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The IUPAC name of 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (CID 2766152) is 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The canonical SMILES for 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid is O=C(O)c1ccc2c(c1)NC(=O)C1CCCN21.
What is the InChIKey of 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The InChIKey is ILCIRRSQEUVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-10-2-1-5-14(10)9-4-3-7(12(16)17)6-8(9)13-11/h3-4,6,10H,1-2,5H2,(H,13,15)(H,16,17).
What are the key properties of 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid is sourced from PubChem (CID 2766152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).