3-naphthalen-1-ylpyrrole-2,5-dione

C14H9NO2 — CID 19835698

IUPAC3-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H9NO2/c16-13-8-12(14(17)15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17)
InChIKeyJDDMPHKHKQRDPT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.88
Rot. Bonds1

About 3-naphthalen-1-ylpyrrole-2,5-dione

3-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 19835698) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID19835698
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H9NO2/c16-13-8-12(14(17)15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17)
InChIKeyJDDMPHKHKQRDPT-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-naphthalen-1-ylpyrrole-2,5-dione (CID 19835698) is 3-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-naphthalen-1-ylpyrrole-2,5-dione is O=C1C=C(c2cccc3ccccc23)C(=O)N1.
What is the InChIKey of 3-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is JDDMPHKHKQRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-8-12(14(17)15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17).
What are the key properties of 3-naphthalen-1-ylpyrrole-2,5-dione?
3-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 223.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 19835698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).