1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione

C12H14N2O3 — CID 748195

IUPAC1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(NCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3
InChIKeyRHQCCEHGFGFOFZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.21
Rot. Bonds4

About 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione

1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione (PubChem CID 748195) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione
PubChem CID748195
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(NCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3
InChIKeyRHQCCEHGFGFOFZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aR)-2-[(4-methoxyanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2247597
(3aR,7aS)-2-[(4-methoxyanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 749597
4-[(4-methoxyanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 2876103
(1S,2R,6S,7R,8S,10S)-4-[(4-methoxyanilino)methyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98106060
1-[(4-methoxyanilino)methyl]indole-2,3-dione
CID 21204155
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N-[4-[(2,5-dioxopyrrolidin-1-yl)methoxy]phenyl]acetamide
CID 71426145
3-[(4-iodoanilino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2865413
1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione
CID 603683
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
(5S)-5-[(4-methoxyanilino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 59735380
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxyphenyl)-N-methylpropanamide
CID 100772393

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione (CID 748195) is 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione is COc1ccc(NCN2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione?
The InChIKey is RHQCCEHGFGFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3.
What are the key properties of 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione?
1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 748195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).