(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine

C18H22NOP — CID 11087864

IUPAC(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYQFJNLMDDYTZSA-KRWDZBQOSA-N
MW299.35 g/mol
LogP3.49
Rot. Bonds3

About (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine

(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine (PubChem CID 11087864) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
PubChem CID11087864
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYQFJNLMDDYTZSA-KRWDZBQOSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The IUPAC name of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine (CID 11087864) is (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine.
What is the SMILES notation for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The canonical SMILES for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine is CC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The InChIKey is YQFJNLMDDYTZSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine has a molecular weight of 299.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 11087864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).