2-diethoxyphosphoryl-1-phenylpyrrolidine

C14H22NO3P — CID 134967267

IUPAC2-diethoxyphosphoryl-1-phenylpyrrolidine
SMILESCCOP(=O)(OCC)C1CCCN1c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-3-17-19(16,18-4-2)14-11-8-12-15(14)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeyWENKUNWLCWSPQU-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.88
Rot. Bonds6

About 2-diethoxyphosphoryl-1-phenylpyrrolidine

2-diethoxyphosphoryl-1-phenylpyrrolidine (PubChem CID 134967267) has the molecular formula C14H22NO3P and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-phenylpyrrolidine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-phenylpyrrolidine
PubChem CID134967267
Molecular FormulaC14H22NO3P
Molecular Weight283.31 g/mol
Exact Mass283.13
IUPAC Name2-diethoxyphosphoryl-1-phenylpyrrolidine
SMILESCCOP(=O)(OCC)C1CCCN1c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-3-17-19(16,18-4-2)14-11-8-12-15(14)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeyWENKUNWLCWSPQU-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-diethoxyphosphorylpyrrolidine
CID 12765070
5-diethoxyphosphoryl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 3848592
4-[(2-diethoxyphosphorylpyrrolidin-1-yl)methyl]benzonitrile
CID 53468355
CID 101403900
CID 101403900
1,2-diphenylpyrrolidine;ethanol
CID 67627522
7,7-bis(diethoxyphosphoryl)-5-phenyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 102336259
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
5-diethoxyphosphoryl-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
CID 102202873
ethyl 3-diethoxyphosphoryl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722113
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-phenylpyrrolidine?
The IUPAC name of 2-diethoxyphosphoryl-1-phenylpyrrolidine (CID 134967267) is 2-diethoxyphosphoryl-1-phenylpyrrolidine.
What is the SMILES notation for 2-diethoxyphosphoryl-1-phenylpyrrolidine?
The canonical SMILES for 2-diethoxyphosphoryl-1-phenylpyrrolidine is CCOP(=O)(OCC)C1CCCN1c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-1-phenylpyrrolidine?
The InChIKey is WENKUNWLCWSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO3P/c1-3-17-19(16,18-4-2)14-11-8-12-15(14)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-phenylpyrrolidine?
2-diethoxyphosphoryl-1-phenylpyrrolidine has a molecular weight of 283.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-phenylpyrrolidine is sourced from PubChem (CID 134967267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).