1-(4-methoxyphenyl)pyrrolidine-2,4-dione

C11H11NO3 — CID 79515540

IUPAC1-(4-methoxyphenyl)pyrrolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)CC2=O)cc1
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-10)12-7-9(13)6-11(12)14/h2-5H,6-7H2,1H3
InChIKeyZSRRQQQQQSQJKH-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.00
Rot. Bonds2

About 1-(4-methoxyphenyl)pyrrolidine-2,4-dione

1-(4-methoxyphenyl)pyrrolidine-2,4-dione (PubChem CID 79515540) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pyrrolidine-2,4-dione
PubChem CID79515540
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(4-methoxyphenyl)pyrrolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)CC2=O)cc1
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-10)12-7-9(13)6-11(12)14/h2-5H,6-7H2,1H3
InChIKeyZSRRQQQQQSQJKH-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-[4-(dimethylamino)phenyl]pyrrolidine-2,4-dione
CID 79516096
1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione
CID 67449340
1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
CID 79516762
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one
CID 158254628
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 64955856
4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-one
CID 166650846
1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
CID 67005013

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)pyrrolidine-2,4-dione (CID 79515540) is 1-(4-methoxyphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)pyrrolidine-2,4-dione is COc1ccc(N2CC(=O)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pyrrolidine-2,4-dione?
The InChIKey is ZSRRQQQQQSQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-10)12-7-9(13)6-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)pyrrolidine-2,4-dione?
1-(4-methoxyphenyl)pyrrolidine-2,4-dione has a molecular weight of 205.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79515540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).