1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid

C18H14N2O4 — CID 130684080

IUPAC1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O4/c21-16-12-6-2-3-7-13(12)17(22)20(16)10-19-14-8-4-1-5-11(14)9-15(19)18(23)24/h1-8,15H,9-10H2,(H,23,24)
InChIKeyMEEYXCXNILJOJX-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.76
Rot. Bonds3

About 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid

1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 130684080) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID130684080
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O4/c21-16-12-6-2-3-7-13(12)17(22)20(16)10-19-14-8-4-1-5-11(14)9-15(19)18(23)24/h1-8,15H,9-10H2,(H,23,24)
InChIKeyMEEYXCXNILJOJX-UHFFFAOYSA-N
XLogP1.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid (CID 130684080) is 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is MEEYXCXNILJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-16-12-6-2-3-7-13(12)17(22)20(16)10-19-14-8-4-1-5-11(14)9-15(19)18(23)24/h1-8,15H,9-10H2,(H,23,24).
What are the key properties of 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 130684080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).