(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one

C30H27NOSe — CID 10323551

IUPAC(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)C[C@H](c2ccccc2)[C@]1(Cc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C30H27NOSe/c32-29-30(21-24-13-5-1-6-14-24,33-27-19-11-4-12-20-27)28(26-17-9-3-10-18-26)23-31(29)22-25-15-7-2-8-16-25/h1-20,28H,21-23H2/t28-,30+/m1/s1
InChIKeyYPCKWLLVYSHOCB-DGPALRBDSA-N
MW496.51 g/mol
LogP5.24
Rot. Bonds7

About (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one

(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one (PubChem CID 10323551) has the molecular formula C30H27NOSe and a molecular weight of 496.51 g/mol. Its IUPAC name is (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one
PubChem CID10323551
Molecular FormulaC30H27NOSe
Molecular Weight496.51 g/mol
Exact Mass497.13
IUPAC Name(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)C[C@H](c2ccccc2)[C@]1(Cc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C30H27NOSe/c32-29-30(21-24-13-5-1-6-14-24,33-27-19-11-4-12-20-27)28(26-17-9-3-10-18-26)23-31(29)22-25-15-7-2-8-16-25/h1-20,28H,21-23H2/t28-,30+/m1/s1
InChIKeyYPCKWLLVYSHOCB-DGPALRBDSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one?
The IUPAC name of (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one (CID 10323551) is (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one?
The canonical SMILES for (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one is O=C1N(Cc2ccccc2)C[C@H](c2ccccc2)[C@]1(Cc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one?
The InChIKey is YPCKWLLVYSHOCB-DGPALRBDSA-N. The full InChI is InChI=1S/C30H27NOSe/c32-29-30(21-24-13-5-1-6-14-24,33-27-19-11-4-12-20-27)28(26-17-9-3-10-18-26)23-31(29)22-25-15-7-2-8-16-25/h1-20,28H,21-23H2/t28-,30+/m1/s1.
What are the key properties of (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one?
(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one has a molecular weight of 496.51 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one is sourced from PubChem (CID 10323551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).