1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione

C13H13NO2 — CID 10262718

IUPAC1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C/C=C/c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+
InChIKeySMNMWVSZHXVRIL-QPJJXVBHSA-N
MW215.25 g/mol
LogP1.85
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione

1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione (PubChem CID 10262718) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione
PubChem CID10262718
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C/C=C/c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+
InChIKeySMNMWVSZHXVRIL-QPJJXVBHSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione (CID 10262718) is 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is SMNMWVSZHXVRIL-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione?
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10262718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).