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

C18H27NO — CID 66107225

IUPAC4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1
InChIInChI=1S/C18H27NO/c1-5-6-14-7-9-15(10-8-14)18(4)12-17(20)19-16(18)11-13(2)3/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyIFXYVFVXKDOVND-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.83
Rot. Bonds5

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

4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one (PubChem CID 66107225) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one
PubChem CID66107225
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1
InChIInChI=1S/C18H27NO/c1-5-6-14-7-9-15(10-8-14)18(4)12-17(20)19-16(18)11-13(2)3/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyIFXYVFVXKDOVND-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one (CID 66107225) is 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one is CCCc1ccc(C2(C)CC(=O)NC2CC(C)C)cc1.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one?
The InChIKey is IFXYVFVXKDOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-6-14-7-9-15(10-8-14)18(4)12-17(20)19-16(18)11-13(2)3/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one?
4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one has a molecular weight of 273.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66107225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).