1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C19H20N2O3 — CID 2113511

IUPAC1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyJRESCQKIRPOOEM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 2113511) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID2113511
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyJRESCQKIRPOOEM-UHFFFAOYSA-N
XLogP2.48
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.48
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-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 2113511) is 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is JRESCQKIRPOOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2113511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).