(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one

C19H21NO2 — CID 11087728

IUPAC(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESCN1C(=O)C[C@H](OCc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-20-17(12-15-8-4-2-5-9-15)18(13-19(20)21)22-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-,18+/m1/s1
InChIKeyXIWMOKZCMOVHDY-MSOLQXFVSA-N
MW295.38 g/mol
LogP3.05
Rot. Bonds5

About (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 11087728) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID11087728
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESCN1C(=O)C[C@H](OCc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-20-17(12-15-8-4-2-5-9-15)18(13-19(20)21)22-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-,18+/m1/s1
InChIKeyXIWMOKZCMOVHDY-MSOLQXFVSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
1-methyl-4-phenylmethoxypyrrolidin-3-amine
CID 126645177
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
CID 12501307
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one (CID 11087728) is (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one is CN1C(=O)C[C@H](OCc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is XIWMOKZCMOVHDY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-17(12-15-8-4-2-5-9-15)18(13-19(20)21)22-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 11087728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).