3-cyclobutylidenepyrrolidine-2,5-dione

C8H9NO2 — CID 81251544

IUPAC3-cyclobutylidenepyrrolidine-2,5-dione
SMILESO=C1CC(=C2CCC2)C(=O)N1
InChIInChI=1S/C8H9NO2/c10-7-4-6(8(11)9-7)5-2-1-3-5/h1-4H2,(H,9,10,11)
InChIKeyODNYOCWQCABHKY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.51
Rot. Bonds

About 3-cyclobutylidenepyrrolidine-2,5-dione

3-cyclobutylidenepyrrolidine-2,5-dione (PubChem CID 81251544) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-cyclobutylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclobutylidenepyrrolidine-2,5-dione
PubChem CID81251544
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-cyclobutylidenepyrrolidine-2,5-dione
SMILESO=C1CC(=C2CCC2)C(=O)N1
InChIInChI=1S/C8H9NO2/c10-7-4-6(8(11)9-7)5-2-1-3-5/h1-4H2,(H,9,10,11)
InChIKeyODNYOCWQCABHKY-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-cyclobutylidenepyrrolidine-2,5-dione (CID 81251544) is 3-cyclobutylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclobutylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclobutylidenepyrrolidine-2,5-dione is O=C1CC(=C2CCC2)C(=O)N1.
What is the InChIKey of 3-cyclobutylidenepyrrolidine-2,5-dione?
The InChIKey is ODNYOCWQCABHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-4-6(8(11)9-7)5-2-1-3-5/h1-4H2,(H,9,10,11).
What are the key properties of 3-cyclobutylidenepyrrolidine-2,5-dione?
3-cyclobutylidenepyrrolidine-2,5-dione has a molecular weight of 151.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 81251544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).