3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione

C20H15NO3 — CID 162403351

IUPAC3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2c(O)ccc3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C20H15NO3/c22-17-11-10-13-6-4-5-9-15(13)19(17)16-12-18(23)21(20(16)24)14-7-2-1-3-8-14/h1-11,16,22H,12H2
InChIKeyVCFQOFCFRGNNKK-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.59
Rot. Bonds2

About 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione

3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 162403351) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID162403351
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2c(O)ccc3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C20H15NO3/c22-17-11-10-13-6-4-5-9-15(13)19(17)16-12-18(23)21(20(16)24)14-7-2-1-3-8-14/h1-11,16,22H,12H2
InChIKeyVCFQOFCFRGNNKK-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331
3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione
CID 102429646
6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
CID 134838028
(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one
CID 132990926
(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
CID 95391546
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
CID 23605678
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 2988657
1-[(2S)-aziridin-2-yl]naphthalen-2-ol
CID 55262690
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
(3R)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899164
(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899163

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 162403351) is 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(c2c(O)ccc3ccccc23)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is VCFQOFCFRGNNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-17-11-10-13-6-4-5-9-15(13)19(17)16-12-18(23)21(20(16)24)14-7-2-1-3-8-14/h1-11,16,22H,12H2.
What are the key properties of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 317.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 162403351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).