1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione

C12H13NO4 — CID 3584864

IUPAC1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CCC2=O)c(OC)c1
InChIInChI=1S/C12H13NO4/c1-16-8-3-4-9(10(7-8)17-2)13-11(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3
InChIKeyARGFKAVRWPWYKE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.36
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione

1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3584864) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3584864
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CCC2=O)c(OC)c1
InChIInChI=1S/C12H13NO4/c1-16-8-3-4-9(10(7-8)17-2)13-11(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3
InChIKeyARGFKAVRWPWYKE-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-
CID 85564
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
Acetamide, N-(2,4-dimethoxyphenyl)-
CID 89972
N-(2,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2933135
N~1~,N~6~-bis(2,4-dimethoxyphenyl)hexanediamide
CID 4601418
4-((2,4-Dimethoxyphenyl)amino)-4-oxobut-2-enoic acid
CID 708945
N-(2,4-dimethoxyphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 2211335
N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 3239578
N-(2,4-dimethoxyphenyl)propanamide
CID 699704
N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 3140488
Octadeca-10,13-dienoic acid 4-hydroxy-3-methoxy-benzylamide
CID 14157094
1-(4-Methoxyphenyl)-3-methylene-2,5-pyrrolidinedione
CID 99443

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione (CID 3584864) is 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CCC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is ARGFKAVRWPWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-16-8-3-4-9(10(7-8)17-2)13-11(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 235.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3584864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).