1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione

C22H22N2O3 — CID 3555454

IUPAC1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-11,20H,12-15H2,1H3
InChIKeyCRKNXIKNLIOIJW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione (PubChem CID 3555454) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
PubChem CID3555454
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-11,20H,12-15H2,1H3
InChIKeyCRKNXIKNLIOIJW-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.12
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-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione (CID 3555454) is 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is CRKNXIKNLIOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-11,20H,12-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3555454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).