2-diphenylphosphorylpyrrolidine

C16H18NOP — CID 11097633

IUPAC2-diphenylphosphorylpyrrolidine
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCN1
InChIInChI=1S/C16H18NOP/c18-19(16-12-7-13-17-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyWVXCNVRMVIGGSN-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.71
Rot. Bonds3

About 2-diphenylphosphorylpyrrolidine

2-diphenylphosphorylpyrrolidine (PubChem CID 11097633) has the molecular formula C16H18NOP and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-diphenylphosphorylpyrrolidine.

Molecular Properties

Compound Name2-diphenylphosphorylpyrrolidine
PubChem CID11097633
Molecular FormulaC16H18NOP
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-diphenylphosphorylpyrrolidine
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCN1
InChIInChI=1S/C16H18NOP/c18-19(16-12-7-13-17-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyWVXCNVRMVIGGSN-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
CID 11087864
2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
CID 155698696
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141516
2-dimethylphosphorylpyrrolidine;hydrochloride
CID 138987795
(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298
(3R)-3-diphenylphosphorylcyclohexan-1-one
CID 102126309
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
piperidin-2-ylphosphonic acid
CID 2785326
(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
CID 10089710
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylpyrrolidine?
The IUPAC name of 2-diphenylphosphorylpyrrolidine (CID 11097633) is 2-diphenylphosphorylpyrrolidine.
What is the SMILES notation for 2-diphenylphosphorylpyrrolidine?
The canonical SMILES for 2-diphenylphosphorylpyrrolidine is O=P(c1ccccc1)(c1ccccc1)C1CCCN1.
What is the InChIKey of 2-diphenylphosphorylpyrrolidine?
The InChIKey is WVXCNVRMVIGGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NOP/c18-19(16-12-7-13-17-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2.
What are the key properties of 2-diphenylphosphorylpyrrolidine?
2-diphenylphosphorylpyrrolidine has a molecular weight of 271.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylpyrrolidine is sourced from PubChem (CID 11097633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).