1-benzyl-4-phenylpyrrolidin-2-one

C17H17NO — CID 2843346

IUPAC1-benzyl-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17-11-16(15-9-5-2-6-10-15)13-18(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyLHEMTKKZJUCLTK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.20
Rot. Bonds3

About 1-benzyl-4-phenylpyrrolidin-2-one

1-benzyl-4-phenylpyrrolidin-2-one (PubChem CID 2843346) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-phenylpyrrolidin-2-one
PubChem CID2843346
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-benzyl-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17-11-16(15-9-5-2-6-10-15)13-18(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyLHEMTKKZJUCLTK-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-phenylpyrrolidin-2-one (CID 2843346) is 1-benzyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenylpyrrolidin-2-one?
The InChIKey is LHEMTKKZJUCLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-11-16(15-9-5-2-6-10-15)13-18(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of 1-benzyl-4-phenylpyrrolidin-2-one?
1-benzyl-4-phenylpyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 2843346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).