3-naphthalen-2-ylpyrrolidine-2,5-dione

C14H11NO2 — CID 102081693

IUPAC3-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc3ccccc3c2)C(=O)N1
InChIInChI=1S/C14H11NO2/c16-13-8-12(14(17)15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16,17)
InChIKeyVGPKCEGZCPJDEF-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.97
Rot. Bonds1

About 3-naphthalen-2-ylpyrrolidine-2,5-dione

3-naphthalen-2-ylpyrrolidine-2,5-dione (PubChem CID 102081693) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-naphthalen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-naphthalen-2-ylpyrrolidine-2,5-dione
PubChem CID102081693
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc3ccccc3c2)C(=O)N1
InChIInChI=1S/C14H11NO2/c16-13-8-12(14(17)15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16,17)
InChIKeyVGPKCEGZCPJDEF-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 82113669
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
4-naphthalen-2-yl-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064929
[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite
CID 177011058
4-naphthalen-2-yl-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064042

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-naphthalen-2-ylpyrrolidine-2,5-dione (CID 102081693) is 3-naphthalen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-naphthalen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-naphthalen-2-ylpyrrolidine-2,5-dione is O=C1CC(c2ccc3ccccc3c2)C(=O)N1.
What is the InChIKey of 3-naphthalen-2-ylpyrrolidine-2,5-dione?
The InChIKey is VGPKCEGZCPJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-8-12(14(17)15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16,17).
What are the key properties of 3-naphthalen-2-ylpyrrolidine-2,5-dione?
3-naphthalen-2-ylpyrrolidine-2,5-dione has a molecular weight of 225.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 102081693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).