1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione

C12H11NO3 — CID 14449114

IUPAC1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-5,7H,1,6H2,2H3
InChIKeyLJXIHHIXPXYPGL-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.51
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione

1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione (PubChem CID 14449114) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
PubChem CID14449114
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-5,7H,1,6H2,2H3
InChIKeyLJXIHHIXPXYPGL-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 101191182
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2049348
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-isoquinoline-1,3-dione
CID 150157753
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
CID 736902
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 880984
1-(3-methoxyphenyl)pyrazolidine-3,5-dione
CID 71563531
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 155351156
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
3-methylidene-1-[3-[4-[3-[4-[6-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]phenoxy]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]pyrrolidine-2,5-dione
CID 170389627
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3R)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6959814

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione (CID 14449114) is 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(c2cccc(OC)c2)C1=O.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is LJXIHHIXPXYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-5,7H,1,6H2,2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 14449114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).