1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C15H16N2O3 — CID 775593

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H16N2O3/c18-13-7-8-14(19)17(13)10-15(20)16-9-3-5-11-4-1-2-6-12(11)16/h1-2,4,6H,3,5,7-10H2
InChIKeyRIXXFPKJHHQTKT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.11
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 775593) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID775593
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H16N2O3/c18-13-7-8-14(19)17(13)10-15(20)16-9-3-5-11-4-1-2-6-12(11)16/h1-2,4,6H,3,5,7-10H2
InChIKeyRIXXFPKJHHQTKT-UHFFFAOYSA-N
XLogP1.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 775593) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is RIXXFPKJHHQTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-7-8-14(19)17(13)10-15(20)16-9-3-5-11-4-1-2-6-12(11)16/h1-2,4,6H,3,5,7-10H2.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 775593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).