4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one

C15H21NO — CID 66106076

IUPAC4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(C2(C)CNC(=O)C2)cc1
InChIInChI=1S/C15H21NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)9-13(17)16-10-15/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyYTAXYTRQCGLGFW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.76
Rot. Bonds1

About 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one

4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one (PubChem CID 66106076) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
PubChem CID66106076
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(C2(C)CNC(=O)C2)cc1
InChIInChI=1S/C15H21NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)9-13(17)16-10-15/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyYTAXYTRQCGLGFW-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one (CID 66106076) is 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one is CC(C)(C)c1ccc(C2(C)CNC(=O)C2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one?
The InChIKey is YTAXYTRQCGLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)9-13(17)16-10-15/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one?
4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 66106076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).