bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene

C26H24N2O6 — CID 67161210

IUPACbis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene
SMILESCc1cccc(C)c1.O=C(O)c1ccc2c(c1)CNC2=O.O=C(O)c1ccc2c(c1)CNC2=O
InChIInChI=1S/2C9H7NO3.C8H10/c2*11-8-7-2-1-5(9(12)13)3-6(7)4-10-8;1-7-4-3-5-8(2)6-7/h2*1-3H,4H2,(H,10,11)(H,12,13);3-6H,1-2H3
InChIKeyMBNXMJDDWHRIDW-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.56
Rot. Bonds2

About bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene

bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene (PubChem CID 67161210) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene.

Molecular Properties

Compound Namebis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene
PubChem CID67161210
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Namebis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene
SMILESCc1cccc(C)c1.O=C(O)c1ccc2c(c1)CNC2=O.O=C(O)c1ccc2c(c1)CNC2=O
InChIInChI=1S/2C9H7NO3.C8H10/c2*11-8-7-2-1-5(9(12)13)3-6(7)4-10-8;1-7-4-3-5-8(2)6-7/h2*1-3H,4H2,(H,10,11)(H,12,13);3-6H,1-2H3
InChIKeyMBNXMJDDWHRIDW-UHFFFAOYSA-N
XLogP3.56
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene?
The IUPAC name of bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene (CID 67161210) is bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene.
What is the SMILES notation for bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene?
The canonical SMILES for bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene is Cc1cccc(C)c1.O=C(O)c1ccc2c(c1)CNC2=O.O=C(O)c1ccc2c(c1)CNC2=O.
What is the InChIKey of bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene?
The InChIKey is MBNXMJDDWHRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO3.C8H10/c2*11-8-7-2-1-5(9(12)13)3-6(7)4-10-8;1-7-4-3-5-8(2)6-7/h2*1-3H,4H2,(H,10,11)(H,12,13);3-6H,1-2H3.
What are the key properties of bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene?
bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene has a molecular weight of 460.49 g/mol, XLogP of 3.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-oxo-2,3-dihydroisoindole-5-carboxylic acid);1,3-xylene is sourced from PubChem (CID 67161210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).