5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid

C12H9NO3 — CID 59727199

IUPAC5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid
SMILESO=C(O)C1=C2c3ccccc3C(=O)N2CC1
InChIInChI=1S/C12H9NO3/c14-11-8-4-2-1-3-7(8)10-9(12(15)16)5-6-13(10)11/h1-4H,5-6H2,(H,15,16)
InChIKeyAOLYJLLMSCFUCR-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.34
Rot. Bonds1

About 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid

5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid (PubChem CID 59727199) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid
PubChem CID59727199
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid
SMILESO=C(O)C1=C2c3ccccc3C(=O)N2CC1
InChIInChI=1S/C12H9NO3/c14-11-8-4-2-1-3-7(8)10-9(12(15)16)5-6-13(10)11/h1-4H,5-6H2,(H,15,16)
InChIKeyAOLYJLLMSCFUCR-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid?
The IUPAC name of 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid (CID 59727199) is 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid.
What is the SMILES notation for 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid?
The canonical SMILES for 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid is O=C(O)C1=C2c3ccccc3C(=O)N2CC1.
What is the InChIKey of 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid?
The InChIKey is AOLYJLLMSCFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-8-4-2-1-3-7(8)10-9(12(15)16)5-6-13(10)11/h1-4H,5-6H2,(H,15,16).
What are the key properties of 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid?
5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid is sourced from PubChem (CID 59727199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).