4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione

C19H18N2O3 — CID 123611133

IUPAC4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCC(C)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-12(2)16-15(17(22)13-8-4-3-5-9-13)18(23)19(24)21(16)14-10-6-7-11-20-14/h3-12,15-16H,1-2H3
InChIKeyNSTYSPBEIYOTEB-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.52
Rot. Bonds4

About 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione

4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 123611133) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID123611133
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCC(C)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-12(2)16-15(17(22)13-8-4-3-5-9-13)18(23)19(24)21(16)14-10-6-7-11-20-14/h3-12,15-16H,1-2H3
InChIKeyNSTYSPBEIYOTEB-UHFFFAOYSA-N
XLogP2.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione (CID 123611133) is 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione is CC(C)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccccn1.
What is the InChIKey of 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is NSTYSPBEIYOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)16-15(17(22)13-8-4-3-5-9-13)18(23)19(24)21(16)14-10-6-7-11-20-14/h3-12,15-16H,1-2H3.
What are the key properties of 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione?
4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 322.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-5-propan-2-yl-1-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 123611133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).