2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid

C19H11NO4 — CID 690727

IUPAC2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C19H11NO4/c21-17-14-9-8-12(19(23)24)10-15(14)18(22)20(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,23,24)
InChIKeyMUEIEJNZVKFKKO-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.34
Rot. Bonds2

About 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid

2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 690727) has the molecular formula C19H11NO4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID690727
Molecular FormulaC19H11NO4
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C19H11NO4/c21-17-14-9-8-12(19(23)24)10-15(14)18(22)20(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,23,24)
InChIKeyMUEIEJNZVKFKKO-UHFFFAOYSA-N
XLogP3.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.34
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-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid (CID 690727) is 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O.
What is the InChIKey of 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is MUEIEJNZVKFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO4/c21-17-14-9-8-12(19(23)24)10-15(14)18(22)20(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,23,24).
What are the key properties of 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid?
2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 690727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).