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

C12H11NO3 — CID 44627215

IUPAC(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO3/c1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2-6H,7H2,1H3,(H,13,14,15)/b9-6+
InChIKeyHMRMXHNSJSQSKA-RMKNXTFCSA-N
MW217.22 g/mol
LogP1.13
Rot. Bonds2

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

(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 44627215) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID44627215
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO3/c1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2-6H,7H2,1H3,(H,13,14,15)/b9-6+
InChIKeyHMRMXHNSJSQSKA-RMKNXTFCSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
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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Related Compounds

Sklb-010
CID 5373936
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 89928116
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
Tmppaa
CID 889955
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
3,4-Bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 10946795
3-[3-(4-methoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5721431
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5751033
Piperlotine A
CID 773630
Piperovatine
CID 5374352
(E)-N-(4-methoxyphenethyl)undec-2-enamide
CID 44406097

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 44627215) is (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is COc1ccc(/C=C2\CC(=O)NC2=O)cc1.
What is the InChIKey of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is HMRMXHNSJSQSKA-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2-6H,7H2,1H3,(H,13,14,15)/b9-6+.
What are the key properties of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 44627215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).