(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one

C18H21NOP2 — CID 157243107

IUPAC(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one
SMILESCPPN1CC[C@@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H21NOP2/c1-21-22-19-13-12-18(17(19)20,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,21-22H,12-14H2,1H3/t18-/m1/s1
InChIKeyAVKYVOORFYEZTI-GOSISDBHSA-N
MW329.32 g/mol
LogP4.22
Rot. Bonds5

About (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one

(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one (PubChem CID 157243107) has the molecular formula C18H21NOP2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one
PubChem CID157243107
Molecular FormulaC18H21NOP2
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one
SMILESCPPN1CC[C@@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H21NOP2/c1-21-22-19-13-12-18(17(19)20,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,21-22H,12-14H2,1H3/t18-/m1/s1
InChIKeyAVKYVOORFYEZTI-GOSISDBHSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one (CID 157243107) is (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one is CPPN1CC[C@@](Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one?
The InChIKey is AVKYVOORFYEZTI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NOP2/c1-21-22-19-13-12-18(17(19)20,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,21-22H,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one?
(3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-(2-methyldiphosphanyl)-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 157243107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).