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

C15H17NO4 — CID 89182432

IUPAC(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1=CC2CC/C=C\CCC12
InChIInChI=1S/C15H17NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,9-11H,3-8H2/b2-1-
InChIKeyNXYXTYUVXJCCBJ-UPHRSURJSA-N
MW275.30 g/mol
LogP1.90
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate (PubChem CID 89182432) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate
PubChem CID89182432
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1=CC2CC/C=C\CCC12
InChIInChI=1S/C15H17NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,9-11H,3-8H2/b2-1-
InChIKeyNXYXTYUVXJCCBJ-UPHRSURJSA-N
XLogP1.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.90
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]deca-4,9-diene-9-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate (CID 89182432) is (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate is O=C(ON1C(=O)CCC1=O)C1=CC2CC/C=C\CCC12.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate?
The InChIKey is NXYXTYUVXJCCBJ-UPHRSURJSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13-7-8-14(18)16(13)20-15(19)12-9-10-5-3-1-2-4-6-11(10)12/h1-2,9-11H,3-8H2/b2-1-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (4E)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.90, 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]deca-4,9-diene-9-carboxylate is sourced from PubChem (CID 89182432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).