(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

C13H15NO4 — CID 88900274

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESO=C(CC1CC2C=CC1C2)ON1C(=O)CCC1=O
InChIInChI=1S/C13H15NO4/c15-11-3-4-12(16)14(11)18-13(17)7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2
InChIKeyAOGNOQQTUYLDKN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.20
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (PubChem CID 88900274) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
PubChem CID88900274
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESO=C(CC1CC2C=CC1C2)ON1C(=O)CCC1=O
InChIInChI=1S/C13H15NO4/c15-11-3-4-12(16)14(11)18-13(17)7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2
InChIKeyAOGNOQQTUYLDKN-UHFFFAOYSA-N
XLogP1.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-bicyclo[2.2.1]hept-5-enyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (CID 88900274) is (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is O=C(CC1CC2C=CC1C2)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The InChIKey is AOGNOQQTUYLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-3-4-12(16)14(11)18-13(17)7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate has a molecular weight of 249.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is sourced from PubChem (CID 88900274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).