3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one

C15H19NO — CID 170079677

IUPAC3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(c2ccc(C(C)(C)C)cc2)C(=O)N1
InChIInChI=1S/C15H19NO/c1-10-9-13(14(17)16-10)11-5-7-12(8-6-11)15(2,3)4/h5-8,13H,1,9H2,2-4H3,(H,16,17)
InChIKeyZEICDDTYSFXJJU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.10
Rot. Bonds1

About 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one

3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one (PubChem CID 170079677) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
PubChem CID170079677
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(c2ccc(C(C)(C)C)cc2)C(=O)N1
InChIInChI=1S/C15H19NO/c1-10-9-13(14(17)16-10)11-5-7-12(8-6-11)15(2,3)4/h5-8,13H,1,9H2,2-4H3,(H,16,17)
InChIKeyZEICDDTYSFXJJU-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one (CID 170079677) is 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one is C=C1CC(c2ccc(C(C)(C)C)cc2)C(=O)N1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is ZEICDDTYSFXJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-9-13(14(17)16-10)11-5-7-12(8-6-11)15(2,3)4/h5-8,13H,1,9H2,2-4H3,(H,16,17).
What are the key properties of 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one?
3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 170079677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).