(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate

C17H14N2O4 — CID 176648871

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)nc1)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O4/c20-15-8-9-16(21)19(15)23-17(22)10-12-6-7-14(18-11-12)13-4-2-1-3-5-13/h1-7,11H,8-10H2
InChIKeyRDGCUWYMWVDUCY-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.90
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate (PubChem CID 176648871) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
PubChem CID176648871
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)nc1)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O4/c20-15-8-9-16(21)19(15)23-17(22)10-12-6-7-14(18-11-12)13-4-2-1-3-5-13/h1-7,11H,8-10H2
InChIKeyRDGCUWYMWVDUCY-UHFFFAOYSA-N
XLogP1.90
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate (CID 176648871) is (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate is O=C(Cc1ccc(-c2ccccc2)nc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate?
The InChIKey is RDGCUWYMWVDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15-8-9-16(21)19(15)23-17(22)10-12-6-7-14(18-11-12)13-4-2-1-3-5-13/h1-7,11H,8-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate has a molecular weight of 310.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate is sourced from PubChem (CID 176648871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).