(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione

C22H22N2O2 — CID 9236237

IUPAC(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C(=O)N1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-21-15-20(19-9-5-2-6-10-19)22(26)24(21)16-23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,20H,12-16H2/t20-/m1/s1
InChIKeyZQBIFSMYSFOSKW-HXUWFJFHSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds4

About (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 9236237) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID9236237
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C(=O)N1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-21-15-20(19-9-5-2-6-10-19)22(26)24(21)16-23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,20H,12-16H2/t20-/m1/s1
InChIKeyZQBIFSMYSFOSKW-HXUWFJFHSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16606859
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
CID 9236250
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
4-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione
CID 34853456
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 31882313
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
CID 2487038

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione (CID 9236237) is (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione is O=C1C[C@H](c2ccccc2)C(=O)N1CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ZQBIFSMYSFOSKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21-15-20(19-9-5-2-6-10-19)22(26)24(21)16-23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,20H,12-16H2/t20-/m1/s1.
What are the key properties of (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione?
(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 346.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9236237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).