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

C18H19NO — CID 102599255

IUPAC(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)18(20)19(14)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3/t14-,17+/m1/s1
InChIKeyLOPIKARDOWKXOO-PBHICJAKSA-N
MW265.36 g/mol
LogP3.59
Rot. Bonds3

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

(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one (PubChem CID 102599255) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
PubChem CID102599255
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)18(20)19(14)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3/t14-,17+/m1/s1
InChIKeyLOPIKARDOWKXOO-PBHICJAKSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one?
The IUPAC name of (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one (CID 102599255) is (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one is C[C@@H]1C[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one?
The InChIKey is LOPIKARDOWKXOO-PBHICJAKSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-12-17(16-10-6-3-7-11-16)18(20)19(14)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 (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one?
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 102599255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).