3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide

C16H20N2O2 — CID 71998925

IUPAC3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
SMILESCC(C)=CC(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11(2)9-15(19)17-14-10-12(3)18(16(14)20)13-7-5-4-6-8-13/h4-9,12,14H,10H2,1-3H3,(H,17,19)
InChIKeyHFJFXORYHVIYQW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds3

About 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide

3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide (PubChem CID 71998925) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
PubChem CID71998925
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
SMILESCC(C)=CC(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11(2)9-15(19)17-14-10-12(3)18(16(14)20)13-7-5-4-6-8-13/h4-9,12,14H,10H2,1-3H3,(H,17,19)
InChIKeyHFJFXORYHVIYQW-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The IUPAC name of 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide (CID 71998925) is 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide is CC(C)=CC(=O)NC1CC(C)N(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The InChIKey is HFJFXORYHVIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)9-15(19)17-14-10-12(3)18(16(14)20)13-7-5-4-6-8-13/h4-9,12,14H,10H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide is sourced from PubChem (CID 71998925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).