(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one

C18H19NO — CID 102276897

IUPAC(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)19(18(14)20)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1
InChIKeyLJFWRWZFZWEWQK-RHSMWYFYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds3

About (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one

(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one (PubChem CID 102276897) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
PubChem CID102276897
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)19(18(14)20)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1
InChIKeyLJFWRWZFZWEWQK-RHSMWYFYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
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1-benzyl-4-ethyl-6-phenylpiperidin-3-one
CID 170718651
2-benzyl-6-methylidene-2-azabicyclo[2.2.1]heptan-3-one
CID 59730616
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
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(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
CID 15624083
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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one (CID 102276897) is (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one is C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one?
The InChIKey is LJFWRWZFZWEWQK-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)19(18(14)20)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one?
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 102276897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).