8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid

C13H11NO4 — CID 44582521

IUPAC8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid
SMILESCn1cc2c(c1)-c1oc(=O)c(C(=O)O)cc1CC2
InChIInChI=1S/C13H11NO4/c1-14-5-8-3-2-7-4-9(12(15)16)13(17)18-11(7)10(8)6-14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHREMEABVBHXTQV-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.44
Rot. Bonds1

About 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid

8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid (PubChem CID 44582521) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid
PubChem CID44582521
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid
SMILESCn1cc2c(c1)-c1oc(=O)c(C(=O)O)cc1CC2
InChIInChI=1S/C13H11NO4/c1-14-5-8-3-2-7-4-9(12(15)16)13(17)18-11(7)10(8)6-14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHREMEABVBHXTQV-UHFFFAOYSA-N
XLogP1.44
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid?
The IUPAC name of 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid (CID 44582521) is 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid.
What is the SMILES notation for 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid?
The canonical SMILES for 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid is Cn1cc2c(c1)-c1oc(=O)c(C(=O)O)cc1CC2.
What is the InChIKey of 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid?
The InChIKey is HREMEABVBHXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-14-5-8-3-2-7-4-9(12(15)16)13(17)18-11(7)10(8)6-14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid?
8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid is sourced from PubChem (CID 44582521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).