(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione

C13H13NO2 — CID 6390251

IUPAC(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione
SMILESCC/C=C1/CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-2-6-10-9-12(15)14(13(10)16)11-7-4-3-5-8-11/h3-8H,2,9H2,1H3/b10-6-
InChIKeyGARIPDSXVQLSGQ-POHAHGRESA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds2

About (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione

(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione (PubChem CID 6390251) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione
PubChem CID6390251
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione
SMILESCC/C=C1/CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-2-6-10-9-12(15)14(13(10)16)11-7-4-3-5-8-11/h3-8H,2,9H2,1H3/b10-6-
InChIKeyGARIPDSXVQLSGQ-POHAHGRESA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
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)-1-phenyl-3-propylidenepyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione (CID 6390251) is (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione is CC/C=C1/CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione?
The InChIKey is GARIPDSXVQLSGQ-POHAHGRESA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-6-10-9-12(15)14(13(10)16)11-7-4-3-5-8-11/h3-8H,2,9H2,1H3/b10-6-.
What are the key properties of (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione?
(3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-phenyl-3-propylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 6390251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).