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

C12H11NO4 — CID 44627217

IUPAC(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1cc(/C=C2\CC(=O)NC2=O)ccc1O
InChIInChI=1S/C12H11NO4/c1-17-10-5-7(2-3-9(10)14)4-8-6-11(15)13-12(8)16/h2-5,14H,6H2,1H3,(H,13,15,16)/b8-4+
InChIKeyZGCGRFWUVCBPSM-XBXARRHUSA-N
MW233.22 g/mol
LogP0.83
Rot. Bonds2

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

(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 44627217) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID44627217
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1cc(/C=C2\CC(=O)NC2=O)ccc1O
InChIInChI=1S/C12H11NO4/c1-17-10-5-7(2-3-9(10)14)4-8-6-11(15)13-12(8)16/h2-5,14H,6H2,1H3,(H,13,15,16)/b8-4+
InChIKeyZGCGRFWUVCBPSM-XBXARRHUSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Feruloyltyramine
CID 5280537
Bis-ferulamidobutane
CID 5321825
N-cis-Feruloyl tyramine
CID 6440659
T 686
CID 6438903
Feruloylputrescine
CID 5281796
2,3-Pyrrolidinedione, 4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-methyl-
CID 84572
(5Z)-5-(3-hydroxy-4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1394178
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 89928116
Ferulamide
CID 6433734
Mls000736959
CID 5285333
N-cis-Feruloylputrescine
CID 92339985
(Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione
CID 5708137

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 44627217) is (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is COc1cc(/C=C2\CC(=O)NC2=O)ccc1O.
What is the InChIKey of (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is ZGCGRFWUVCBPSM-XBXARRHUSA-N. The full InChI is InChI=1S/C12H11NO4/c1-17-10-5-7(2-3-9(10)14)4-8-6-11(15)13-12(8)16/h2-5,14H,6H2,1H3,(H,13,15,16)/b8-4+.
What are the key properties of (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 233.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 44627217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).