3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione

C18H15NO2 — CID 77039972

IUPAC3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione
SMILESCC(=C1CC(=O)NC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15NO2/c1-12(16-11-17(20)19-18(16)21)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20,21)
InChIKeyZDZWJICOEVQWCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.17
Rot. Bonds2

About 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione

3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione (PubChem CID 77039972) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione
PubChem CID77039972
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione
SMILESCC(=C1CC(=O)NC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15NO2/c1-12(16-11-17(20)19-18(16)21)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20,21)
InChIKeyZDZWJICOEVQWCG-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione (CID 77039972) is 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione is CC(=C1CC(=O)NC1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione?
The InChIKey is ZDZWJICOEVQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12(16-11-17(20)19-18(16)21)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20,21).
What are the key properties of 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione?
3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylphenyl)ethylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 77039972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).