(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one

C13H13NO3 — CID 6367350

IUPAC(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one
SMILESCOC1=CC(=O)N/C1=C(/OC)c1ccccc1
InChIInChI=1S/C13H13NO3/c1-16-10-8-11(15)14-12(10)13(17-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/b13-12+
InChIKeyIFNUGHUWAVWGDK-OUKQBFOZSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds3

About (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one

(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one (PubChem CID 6367350) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one.

Molecular Properties

Compound Name(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one
PubChem CID6367350
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one
SMILESCOC1=CC(=O)N/C1=C(/OC)c1ccccc1
InChIInChI=1S/C13H13NO3/c1-16-10-8-11(15)14-12(10)13(17-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/b13-12+
InChIKeyIFNUGHUWAVWGDK-OUKQBFOZSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one
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4-methoxy-5-phenoxycyclohexa-3,5-diene-1,2-dione
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3-benzoylpyrrole-2,5-dione
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methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
methyl N-hydroxybenzenecarboximidate
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Frequently Asked Questions

What is the IUPAC name of (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one?
The IUPAC name of (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one (CID 6367350) is (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one.
What is the SMILES notation for (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one?
The canonical SMILES for (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one is COC1=CC(=O)N/C1=C(/OC)c1ccccc1.
What is the InChIKey of (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one?
The InChIKey is IFNUGHUWAVWGDK-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-10-8-11(15)14-12(10)13(17-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/b13-12+.
What are the key properties of (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one?
(5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methoxy-5-[methoxy(phenyl)methylidene]pyrrol-2-one is sourced from PubChem (CID 6367350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).