4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one

C17H16N2O — CID 168685936

IUPAC4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3ccccc3)cn2)C1
InChIInChI=1S/C17H16N2O/c1-2-13-10-17(20)19(12-13)16-9-8-15(11-18-16)14-6-4-3-5-7-14/h2-9,11,13H,1,10,12H2
InChIKeyOQDRUSQJLGWOEX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.29
Rot. Bonds3

About 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one

4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168685936) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168685936
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3ccccc3)cn2)C1
InChIInChI=1S/C17H16N2O/c1-2-13-10-17(20)19(12-13)16-9-8-15(11-18-16)14-6-4-3-5-7-14/h2-9,11,13H,1,10,12H2
InChIKeyOQDRUSQJLGWOEX-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one (CID 168685936) is 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(-c3ccccc3)cn2)C1.
What is the InChIKey of 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is OQDRUSQJLGWOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-13-10-17(20)19(12-13)16-9-8-15(11-18-16)14-6-4-3-5-7-14/h2-9,11,13H,1,10,12H2.
What are the key properties of 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one?
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168685936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).