(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate

C18H16N2O6 — CID 13336728

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate
SMILESO=C(Cn1cccc(OCc2ccccc2)c1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O6/c21-15-8-9-16(22)20(15)26-17(23)11-19-10-4-7-14(18(19)24)25-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2
InChIKeyJCMJUKQJBYQYMZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.03
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate (PubChem CID 13336728) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate
PubChem CID13336728
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate
SMILESO=C(Cn1cccc(OCc2ccccc2)c1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O6/c21-15-8-9-16(22)20(15)26-17(23)11-19-10-4-7-14(18(19)24)25-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2
InChIKeyJCMJUKQJBYQYMZ-UHFFFAOYSA-N
XLogP1.03
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate (CID 13336728) is (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate is O=C(Cn1cccc(OCc2ccccc2)c1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate?
The InChIKey is JCMJUKQJBYQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c21-15-8-9-16(22)20(15)26-17(23)11-19-10-4-7-14(18(19)24)25-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate has a molecular weight of 356.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetate is sourced from PubChem (CID 13336728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).