4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one

C17H25NO — CID 66108959

IUPAC4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1
InChIInChI=1S/C17H25NO/c1-5-13-6-8-14(9-7-13)17(4)11-16(19)18-15(17)10-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyHBBZETRTAJDCLL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.44
Rot. Bonds4

About 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one

4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66108959) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66108959
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1
InChIInChI=1S/C17H25NO/c1-5-13-6-8-14(9-7-13)17(4)11-16(19)18-15(17)10-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyHBBZETRTAJDCLL-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (CID 66108959) is 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is CCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is HBBZETRTAJDCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13-6-8-14(9-7-13)17(4)11-16(19)18-15(17)10-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66108959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).