(3Z)-3-benzylidenepyrrolidine-2,5-dione

C11H9NO2 — CID 23189869

IUPAC(3Z)-3-benzylidenepyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b9-6-
InChIKeyFLHBCOKNLNJEHU-TWGQIWQCSA-N
MW187.20 g/mol
LogP1.12
Rot. Bonds1

About (3Z)-3-benzylidenepyrrolidine-2,5-dione

(3Z)-3-benzylidenepyrrolidine-2,5-dione (PubChem CID 23189869) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (3Z)-3-benzylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-benzylidenepyrrolidine-2,5-dione
PubChem CID23189869
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(3Z)-3-benzylidenepyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b9-6-
InChIKeyFLHBCOKNLNJEHU-TWGQIWQCSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.12
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 (3Z)-3-benzylidenepyrrolidine-2,5-dione?
The IUPAC name of (3Z)-3-benzylidenepyrrolidine-2,5-dione (CID 23189869) is (3Z)-3-benzylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-3-benzylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-3-benzylidenepyrrolidine-2,5-dione is O=C1C/C(=C/c2ccccc2)C(=O)N1.
What is the InChIKey of (3Z)-3-benzylidenepyrrolidine-2,5-dione?
The InChIKey is FLHBCOKNLNJEHU-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b9-6-.
What are the key properties of (3Z)-3-benzylidenepyrrolidine-2,5-dione?
(3Z)-3-benzylidenepyrrolidine-2,5-dione has a molecular weight of 187.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 23189869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).