2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one

C17H25NO — CID 83219274

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
SMILESCCC1CCC(C)N1C(CC)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-4-15-12-11-13(3)18(15)16(5-2)17(19)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyMHKHWJJHZSAZRJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one (PubChem CID 83219274) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
PubChem CID83219274
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
SMILESCCC1CCC(C)N1C(CC)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-4-15-12-11-13(3)18(15)16(5-2)17(19)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyMHKHWJJHZSAZRJ-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one (CID 83219274) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one is CCC1CCC(C)N1C(CC)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one?
The InChIKey is MHKHWJJHZSAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-15-12-11-13(3)18(15)16(5-2)17(19)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 83219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).