4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one

C14H19NO — CID 66106985

IUPAC4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2(C)C)cc1C
InChIInChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)12-8-13(16)15-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyHTLLQIZBRJPPOK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one

4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 66106985) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID66106985
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2(C)C)cc1C
InChIInChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)12-8-13(16)15-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyHTLLQIZBRJPPOK-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-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 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one (CID 66106985) is 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one is Cc1ccc(C2CC(=O)NC2(C)C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is HTLLQIZBRJPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)12-8-13(16)15-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16).
What are the key properties of 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66106985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).