(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione

C11H9NO3 — CID 44627108

IUPAC(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C11H9NO3/c13-9-3-1-7(2-4-9)5-8-6-10(14)12-11(8)15/h1-5,13H,6H2,(H,12,14,15)/b8-5+
InChIKeyGUNZTFNCSRGKIG-VMPITWQZSA-N
MW203.20 g/mol
LogP0.82
Rot. Bonds1

About (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 44627108) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID44627108
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C11H9NO3/c13-9-3-1-7(2-4-9)5-8-6-10(14)12-11(8)15/h1-5,13H,6H2,(H,12,14,15)/b8-5+
InChIKeyGUNZTFNCSRGKIG-VMPITWQZSA-N
XLogP0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 44627108) is (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C\c2ccc(O)cc2)C(=O)N1.
What is the InChIKey of (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is GUNZTFNCSRGKIG-VMPITWQZSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-3-1-7(2-4-9)5-8-6-10(14)12-11(8)15/h1-5,13H,6H2,(H,12,14,15)/b8-5+.
What are the key properties of (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 44627108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).