(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate

C14H17NO4 — CID 89147494

IUPAC(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)C12CC/C=C\CCC1C2
InChIInChI=1S/C14H17NO4/c16-11-6-7-12(17)15(11)19-13(18)14-8-4-2-1-3-5-10(14)9-14/h1-2,10H,3-9H2/b2-1-
InChIKeyUAMGVDXYLXHOAJ-UPHRSURJSA-N
MW263.29 g/mol
LogP1.73
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate (PubChem CID 89147494) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate
PubChem CID89147494
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)C12CC/C=C\CCC1C2
InChIInChI=1S/C14H17NO4/c16-11-6-7-12(17)15(11)19-13(18)14-8-4-2-1-3-5-10(14)9-14/h1-2,10H,3-9H2/b2-1-
InChIKeyUAMGVDXYLXHOAJ-UPHRSURJSA-N
XLogP1.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.73
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) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate (CID 89147494) is (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate is O=C1CCC(=O)N1OC(=O)C12CC/C=C\CCC1C2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate?
The InChIKey is UAMGVDXYLXHOAJ-UPHRSURJSA-N. The full InChI is InChI=1S/C14H17NO4/c16-11-6-7-12(17)15(11)19-13(18)14-8-4-2-1-3-5-10(14)9-14/h1-2,10H,3-9H2/b2-1-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.73, 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) (4Z)-bicyclo[6.1.0]non-4-ene-1-carboxylate is sourced from PubChem (CID 89147494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).