3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione

C20H14N2O2 — CID 54171773

IUPAC3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3ccccc23)/C1=N/c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-19-17(16-12-6-8-13-7-4-5-11-15(13)16)18(20(24)22-19)21-14-9-2-1-3-10-14/h1-12,17H,(H,22,23,24)/b21-18-
InChIKeyOVNKWFZRRMBSQA-UZYVYHOESA-N
MW314.34 g/mol
LogP3.35
Rot. Bonds2

About 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione

3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione (PubChem CID 54171773) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione
PubChem CID54171773
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3ccccc23)/C1=N/c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-19-17(16-12-6-8-13-7-4-5-11-15(13)16)18(20(24)22-19)21-14-9-2-1-3-10-14/h1-12,17H,(H,22,23,24)/b21-18-
InChIKeyOVNKWFZRRMBSQA-UZYVYHOESA-N
XLogP3.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione?
The IUPAC name of 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione (CID 54171773) is 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione.
What is the SMILES notation for 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione?
The canonical SMILES for 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione is O=C1NC(=O)C(c2cccc3ccccc23)/C1=N/c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione?
The InChIKey is OVNKWFZRRMBSQA-UZYVYHOESA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19-17(16-12-6-8-13-7-4-5-11-15(13)16)18(20(24)22-19)21-14-9-2-1-3-10-14/h1-12,17H,(H,22,23,24)/b21-18-.
What are the key properties of 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione?
3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione has a molecular weight of 314.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione is sourced from PubChem (CID 54171773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).