5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione

C12H11NO3 — CID 91278546

IUPAC5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOC(=C1NC(=O)CC1=O)c1ccccc1
InChIInChI=1S/C12H11NO3/c1-16-12(8-5-3-2-4-6-8)11-9(14)7-10(15)13-11/h2-6H,7H2,1H3,(H,13,15)
InChIKeyKLFWEPVXMSIYDH-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.09
Rot. Bonds2

About 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione

5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione (PubChem CID 91278546) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
PubChem CID91278546
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOC(=C1NC(=O)CC1=O)c1ccccc1
InChIInChI=1S/C12H11NO3/c1-16-12(8-5-3-2-4-6-8)11-9(14)7-10(15)13-11/h2-6H,7H2,1H3,(H,13,15)
InChIKeyKLFWEPVXMSIYDH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-4,5-dimethyl-5-phenylmethoxy-1H-pyrrol-2-one
CID 10635017
(5Z)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one
CID 5386475
(3Z,5Z)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
CID 10198768
6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one
CID 58914384
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one
CID 60027341
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-5,6-dihydro-1H-indole-6-carboxylate
CID 68198833
(5Z)-5-[methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860678
5-[Methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860679
5-[(2-Methoxyphenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860680
5-(Methoxyphenylmethylene)-pyrrolidine-2,3,4-trione 3-oxime
CID 73994020
5-[Methoxy(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione
CID 90714825
3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one
CID 130229399

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione (CID 91278546) is 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione is COC(=C1NC(=O)CC1=O)c1ccccc1.
What is the InChIKey of 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is KLFWEPVXMSIYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-12(8-5-3-2-4-6-8)11-9(14)7-10(15)13-11/h2-6H,7H2,1H3,(H,13,15).
What are the key properties of 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 217.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 91278546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).