1-diethoxyphosphorylpyrrolidine

C8H18NO3P — CID 10750826

IUPAC1-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)N1CCCC1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h3-8H2,1-2H3
InChIKeyLTUJSYMHUYLIEQ-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.26
Rot. Bonds5

About 1-diethoxyphosphorylpyrrolidine

1-diethoxyphosphorylpyrrolidine (PubChem CID 10750826) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-diethoxyphosphorylpyrrolidine.

Molecular Properties

Compound Name1-diethoxyphosphorylpyrrolidine
PubChem CID10750826
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Name1-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)N1CCCC1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h3-8H2,1-2H3
InChIKeyLTUJSYMHUYLIEQ-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dipropoxyphosphorylpiperidine
CID 3767589
1-(diethoxyphosphorylmethyl)azepane
CID 2251936
1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
CID 174949152
1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine
CID 19977992
4-dibutoxyphosphorylselenomorpholine
CID 102520796
1-(diethoxyphosphorylmethyl)-1,5,9-triazacyclododecane
CID 15297442
3-diethoxyphosphoryl-1-pyrrolidin-1-ylpropane-1,2-dione
CID 15213142
N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126613480
2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
CID 132991854
1-[ethoxy(ethyl)phosphoryl]oxyethane
CID 23416652
(3E,5E)-3,5-dibenzylidene-1-diethoxyphosphorylpiperidin-4-one
CID 52947928
1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine
CID 102119295

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylpyrrolidine?
The IUPAC name of 1-diethoxyphosphorylpyrrolidine (CID 10750826) is 1-diethoxyphosphorylpyrrolidine.
What is the SMILES notation for 1-diethoxyphosphorylpyrrolidine?
The canonical SMILES for 1-diethoxyphosphorylpyrrolidine is CCOP(=O)(OCC)N1CCCC1.
What is the InChIKey of 1-diethoxyphosphorylpyrrolidine?
The InChIKey is LTUJSYMHUYLIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h3-8H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylpyrrolidine?
1-diethoxyphosphorylpyrrolidine has a molecular weight of 207.21 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylpyrrolidine is sourced from PubChem (CID 10750826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).