1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione

C13H16N2O3 — CID 103499506

IUPAC1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C(C)C(C)C2=O)cc1N
InChIInChI=1S/C13H16N2O3/c1-7-8(2)13(17)15(12(7)16)9-4-5-11(18-3)10(14)6-9/h4-8H,14H2,1-3H3
InChIKeyKRHSGAURSZFSLF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.42
Rot. Bonds2

About 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103499506) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103499506
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C(C)C(C)C2=O)cc1N
InChIInChI=1S/C13H16N2O3/c1-7-8(2)13(17)15(12(7)16)9-4-5-11(18-3)10(14)6-9/h4-8H,14H2,1-3H3
InChIKeyKRHSGAURSZFSLF-UHFFFAOYSA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
CID 61351313
2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980062
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961
2-methoxy-5-(triazol-2-yl)aniline
CID 84662609
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde
CID 25030515
(3aR,4S,7R,7aS)-2-(3-hydroxy-4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 23395064
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500329
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
(3aR,4S,7aR)-2-(3-chloro-4-methoxyphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98353824

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103499506) is 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)C(C)C(C)C2=O)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is KRHSGAURSZFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-8(2)13(17)15(12(7)16)9-4-5-11(18-3)10(14)6-9/h4-8H,14H2,1-3H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103499506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).