2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione

C21H20N2O2 — CID 8554729

IUPAC2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-14-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10H,11-15H2
InChIKeyYSVQLLNPDYCBTG-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione

2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 8554729) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione
PubChem CID8554729
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-14-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10H,11-15H2
InChIKeyYSVQLLNPDYCBTG-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
Ethaselen
CID 10387485
N,N'-dibenzoylpiperazine
CID 80185
N-Ethylphthalimide
CID 21120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione (CID 8554729) is 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is YSVQLLNPDYCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-14-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10H,11-15H2.
What are the key properties of 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 332.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8554729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).