(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate

C15H19NO4 — CID 89182501

IUPAC(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CC2CC/C=C\CCC21
InChIInChI=1S/C15H19NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-
InChIKeyUCFSBIKIJHONOH-UPHRSURJSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate

(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate (PubChem CID 89182501) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate
PubChem CID89182501
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CC2CC/C=C\CCC21
InChIInChI=1S/C15H19NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-
InChIKeyUCFSBIKIJHONOH-UPHRSURJSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
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) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate (CID 89182501) is (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate is O=C(ON1C(=O)CCC1=O)C1CC2CC/C=C\CCC21.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate?
The InChIKey is UCFSBIKIJHONOH-UPHRSURJSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.98, 2 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) (4E)-bicyclo[6.2.0]dec-4-ene-9-carboxylate is sourced from PubChem (CID 89182501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).