1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione

C16H14N2O2 — CID 19585587

IUPAC1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H14N2O2/c19-15-5-6-16(20)18(15)14-3-1-12(2-4-14)11-13-7-9-17-10-8-13/h1-4,7-10H,5-6,11H2
InChIKeyZULVZFFKTWPXPG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione

1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 19585587) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID19585587
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H14N2O2/c19-15-5-6-16(20)18(15)14-3-1-12(2-4-14)11-13-7-9-17-10-8-13/h1-4,7-10H,5-6,11H2
InChIKeyZULVZFFKTWPXPG-UHFFFAOYSA-N
XLogP2.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione (CID 19585587) is 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is ZULVZFFKTWPXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-5-6-16(20)18(15)14-3-1-12(2-4-14)11-13-7-9-17-10-8-13/h1-4,7-10H,5-6,11H2.
What are the key properties of 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione?
1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19585587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).