3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione

C19H18N2O2 — CID 3705514

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCc3ccccc3C2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-12-17(19(23)21(18)16-8-2-1-3-9-16)20-11-10-14-6-4-5-7-15(14)13-20/h1-9,17H,10-13H2
InChIKeySHCJRIXZNWGMDV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.38
Rot. Bonds2

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 3705514) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID3705514
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCc3ccccc3C2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-12-17(19(23)21(18)16-8-2-1-3-9-16)20-11-10-14-6-4-5-7-15(14)13-20/h1-9,17H,10-13H2
InChIKeySHCJRIXZNWGMDV-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.38
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 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione (CID 3705514) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCc3ccccc3C2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SHCJRIXZNWGMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-12-17(19(23)21(18)16-8-2-1-3-9-16)20-11-10-14-6-4-5-7-15(14)13-20/h1-9,17H,10-13H2.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3705514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).