4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one

C16H14N2O2 — CID 3071506

IUPAC4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1C(=O)c1cccnc1
InChIInChI=1S/C16H14N2O2/c19-15-9-14(12-5-2-1-3-6-12)11-18(15)16(20)13-7-4-8-17-10-13/h1-8,10,14H,9,11H2
InChIKeyXDIBPFPBFNGMGH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one

4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 3071506) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID3071506
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1C(=O)c1cccnc1
InChIInChI=1S/C16H14N2O2/c19-15-9-14(12-5-2-1-3-6-12)11-18(15)16(20)13-7-4-8-17-10-13/h1-8,10,14H,9,11H2
InChIKeyXDIBPFPBFNGMGH-UHFFFAOYSA-N
XLogP2.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
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 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one (CID 3071506) is 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one is O=C1CC(c2ccccc2)CN1C(=O)c1cccnc1.
What is the InChIKey of 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is XDIBPFPBFNGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-9-14(12-5-2-1-3-6-12)11-18(15)16(20)13-7-4-8-17-10-13/h1-8,10,14H,9,11H2.
What are the key properties of 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one?
4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 3071506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).