1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one

C17H16N2O2 — CID 71570279

IUPAC1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)c2cncc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C17H16N2O2/c1-19-8-7-15(17(19)21)16(20)14-9-13(10-18-11-14)12-5-3-2-4-6-12/h2-6,9-11,15H,7-8H2,1H3
InChIKeyDWHLCHWYUJANHW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one

1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 71570279) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID71570279
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)c2cncc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C17H16N2O2/c1-19-8-7-15(17(19)21)16(20)14-9-13(10-18-11-14)12-5-3-2-4-6-12/h2-6,9-11,15H,7-8H2,1H3
InChIKeyDWHLCHWYUJANHW-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one (CID 71570279) is 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one is CN1CCC(C(=O)c2cncc(-c3ccccc3)c2)C1=O.
What is the InChIKey of 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is DWHLCHWYUJANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-8-7-15(17(19)21)16(20)14-9-13(10-18-11-14)12-5-3-2-4-6-12/h2-6,9-11,15H,7-8H2,1H3.
What are the key properties of 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one?
1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-phenylpyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71570279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).