1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C15H18N2O4 — CID 79178738

IUPAC1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cc(N)cc3c2OCOC3)C(=O)C1C
InChIInChI=1S/C15H18N2O4/c1-8-9(2)15(19)17(14(8)18)5-10-3-12(16)4-11-6-20-7-21-13(10)11/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyJWPZAIGRHDJMLN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.28
Rot. Bonds2

About 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79178738) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79178738
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cc(N)cc3c2OCOC3)C(=O)C1C
InChIInChI=1S/C15H18N2O4/c1-8-9(2)15(19)17(14(8)18)5-10-3-12(16)4-11-6-20-7-21-13(10)11/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyJWPZAIGRHDJMLN-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79178738) is 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2cc(N)cc3c2OCOC3)C(=O)C1C.
What is the InChIKey of 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is JWPZAIGRHDJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8-9(2)15(19)17(14(8)18)5-10-3-12(16)4-11-6-20-7-21-13(10)11/h3-4,8-9H,5-7,16H2,1-2H3.
What are the key properties of 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79178738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).