1-naphthalen-1-ylpyrrolidine-2,3-dione

C14H11NO2 — CID 54973508

IUPAC1-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESO=C1CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C14H11NO2/c16-13-8-9-15(14(13)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChIKeyOEIIFZGTQYQJRF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.15
Rot. Bonds1

About 1-naphthalen-1-ylpyrrolidine-2,3-dione

1-naphthalen-1-ylpyrrolidine-2,3-dione (PubChem CID 54973508) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-naphthalen-1-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-naphthalen-1-ylpyrrolidine-2,3-dione
PubChem CID54973508
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name1-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESO=C1CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C14H11NO2/c16-13-8-9-15(14(13)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChIKeyOEIIFZGTQYQJRF-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-naphthalen-1-ylpyrrolidine-2,3-dione (CID 54973508) is 1-naphthalen-1-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-naphthalen-1-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-naphthalen-1-ylpyrrolidine-2,3-dione is O=C1CCN(c2cccc3ccccc23)C1=O.
What is the InChIKey of 1-naphthalen-1-ylpyrrolidine-2,3-dione?
The InChIKey is OEIIFZGTQYQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-8-9-15(14(13)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2.
What are the key properties of 1-naphthalen-1-ylpyrrolidine-2,3-dione?
1-naphthalen-1-ylpyrrolidine-2,3-dione has a molecular weight of 225.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 54973508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).