3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione

C17H16N2O2 — CID 2924583

IUPAC3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H16N2O2/c1-12-6-5-9-15(18-12)19-16(20)11-14(17(19)21)10-13-7-3-2-4-8-13/h2-9,14H,10-11H2,1H3
InChIKeyPATQIIQBBQWPEL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.51
Rot. Bonds3

About 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione

3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 2924583) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID2924583
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H16N2O2/c1-12-6-5-9-15(18-12)19-16(20)11-14(17(19)21)10-13-7-3-2-4-8-13/h2-9,14H,10-11H2,1H3
InChIKeyPATQIIQBBQWPEL-UHFFFAOYSA-N
XLogP2.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.51
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-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione (CID 2924583) is 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)n1.
What is the InChIKey of 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is PATQIIQBBQWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-5-9-15(18-12)19-16(20)11-14(17(19)21)10-13-7-3-2-4-8-13/h2-9,14H,10-11H2,1H3.
What are the key properties of 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(6-methyl-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2924583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).