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

C14H19NO — CID 66107823

IUPAC4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
SMILESCc1ccc(C)c(C2(C)CC(=O)NC2C)c1
InChIInChI=1S/C14H19NO/c1-9-5-6-10(2)12(7-9)14(4)8-13(16)15-11(14)3/h5-7,11H,8H2,1-4H3,(H,15,16)
InChIKeyMOWDTIRHOHGXKF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.47
Rot. Bonds1

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

4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one (PubChem CID 66107823) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
PubChem CID66107823
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
SMILESCc1ccc(C)c(C2(C)CC(=O)NC2C)c1
InChIInChI=1S/C14H19NO/c1-9-5-6-10(2)12(7-9)14(4)8-13(16)15-11(14)3/h5-7,11H,8H2,1-4H3,(H,15,16)
InChIKeyMOWDTIRHOHGXKF-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one (CID 66107823) is 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one is Cc1ccc(C)c(C2(C)CC(=O)NC2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one?
The InChIKey is MOWDTIRHOHGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-6-10(2)12(7-9)14(4)8-13(16)15-11(14)3/h5-7,11H,8H2,1-4H3,(H,15,16).
What are the key properties of 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one?
4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66107823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).