2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone

C26H25NO2 — CID 122364456

IUPAC2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
SMILESO=C(C[C@H]1CC[C@@H](CC(=O)c2ccccc2)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO2/c28-25(20-10-4-1-5-11-20)18-23-16-17-24(27(23)22-14-8-3-9-15-22)19-26(29)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+
InChIKeyPQSVJKOVTUFLSZ-PSWAGMNNSA-N
MW383.49 g/mol
LogP5.57
Rot. Bonds7

About 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone

2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone (PubChem CID 122364456) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
PubChem CID122364456
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
SMILESO=C(C[C@H]1CC[C@@H](CC(=O)c2ccccc2)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO2/c28-25(20-10-4-1-5-11-20)18-23-16-17-24(27(23)22-14-8-3-9-15-22)19-26(29)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+
InChIKeyPQSVJKOVTUFLSZ-PSWAGMNNSA-N
XLogP5.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
(2R,3R,6S,9aR)-3-chloro-2-hydroxy-6-phenacyl-2-phenyl-3,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 122369222
1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone
CID 10967351
cis-(2S,3R)-2-benzoyl-3-phenacylcyclopentan-1-one
CID 131848782

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone (CID 122364456) is 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone is O=C(C[C@H]1CC[C@@H](CC(=O)c2ccccc2)N1c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone?
The InChIKey is PQSVJKOVTUFLSZ-PSWAGMNNSA-N. The full InChI is InChI=1S/C26H25NO2/c28-25(20-10-4-1-5-11-20)18-23-16-17-24(27(23)22-14-8-3-9-15-22)19-26(29)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+.
What are the key properties of 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone?
2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone has a molecular weight of 383.49 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 122364456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).