2-methyl-1,3-dioxoisoindole-5-carboxylic acid

C10H7NO4 — CID 883431

IUPAC2-methyl-1,3-dioxoisoindole-5-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C10H7NO4/c1-11-8(12)6-3-2-5(10(14)15)4-7(6)9(11)13/h2-4H,1H3,(H,14,15)
InChIKeyJNOGAXDCJSTIRH-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.61
Rot. Bonds1

About 2-methyl-1,3-dioxoisoindole-5-carboxylic acid

2-methyl-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 883431) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-methyl-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID883431
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-methyl-1,3-dioxoisoindole-5-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C10H7NO4/c1-11-8(12)6-3-2-5(10(14)15)4-7(6)9(11)13/h2-4H,1H3,(H,14,15)
InChIKeyJNOGAXDCJSTIRH-UHFFFAOYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-methyl-1,3-dioxoisoindole-5-carboxylic acid (CID 883431) is 2-methyl-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1,3-dioxoisoindole-5-carboxylic acid is CN1C(=O)c2ccc(C(=O)O)cc2C1=O.
What is the InChIKey of 2-methyl-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is JNOGAXDCJSTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-11-8(12)6-3-2-5(10(14)15)4-7(6)9(11)13/h2-4H,1H3,(H,14,15).
What are the key properties of 2-methyl-1,3-dioxoisoindole-5-carboxylic acid?
2-methyl-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 883431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).