7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid

C10H9NO6 — CID 118319727

IUPAC7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
SMILESO=C(O)c1c(O)cc(=O)n2c1CCC2C(=O)O
InChIInChI=1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17)
InChIKeyHUFICPZUGMCVGN-UHFFFAOYSA-N
MW239.18 g/mol
LogP-0.18
Rot. Bonds2

About 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid

7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid (PubChem CID 118319727) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
PubChem CID118319727
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
SMILESO=C(O)c1c(O)cc(=O)n2c1CCC2C(=O)O
InChIInChI=1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17)
InChIKeyHUFICPZUGMCVGN-UHFFFAOYSA-N
XLogP-0.18
TPSA116.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid?
The IUPAC name of 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid (CID 118319727) is 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid.
What is the SMILES notation for 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid?
The canonical SMILES for 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid is O=C(O)c1c(O)cc(=O)n2c1CCC2C(=O)O.
What is the InChIKey of 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid?
The InChIKey is HUFICPZUGMCVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid?
7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid has a molecular weight of 239.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid is sourced from PubChem (CID 118319727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).