1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C20H19NO4 — CID 660661

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C20H19NO4/c1-13-2-4-14(5-3-13)10-15-11-19(22)21(20(15)23)16-6-7-17-18(12-16)25-9-8-24-17/h2-7,12,15H,8-11H2,1H3
InChIKeyFLXXCZWCGBMRGU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 660661) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID660661
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C20H19NO4/c1-13-2-4-14(5-3-13)10-15-11-19(22)21(20(15)23)16-6-7-17-18(12-16)25-9-8-24-17/h2-7,12,15H,8-11H2,1H3
InChIKeyFLXXCZWCGBMRGU-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 660661) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is FLXXCZWCGBMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-2-4-14(5-3-13)10-15-11-19(22)21(20(15)23)16-6-7-17-18(12-16)25-9-8-24-17/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 337.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 660661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).