(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine

C18H22NOP — CID 101063072

IUPAC(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine
SMILESC[C@H]1C[C@@H](C)N(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22NOP/c1-15-13-16(2)19(14-15)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyUHTIKNCSYOCXSM-JKSUJKDBSA-N
MW299.35 g/mol
LogP3.65
Rot. Bonds3

About (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine

(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine (PubChem CID 101063072) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine
PubChem CID101063072
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine
SMILESC[C@H]1C[C@@H](C)N(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22NOP/c1-15-13-16(2)19(14-15)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyUHTIKNCSYOCXSM-JKSUJKDBSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.65
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 (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine?
The IUPAC name of (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine (CID 101063072) is (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine.
What is the SMILES notation for (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine?
The canonical SMILES for (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine is C[C@H]1C[C@@H](C)N(P(=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine?
The InChIKey is UHTIKNCSYOCXSM-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H22NOP/c1-15-13-16(2)19(14-15)21(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine?
(2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine has a molecular weight of 299.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine is sourced from PubChem (CID 101063072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).