2-diethoxyphosphoryl-2-methylpyrrolidine

C9H20NO3P — CID 5007980

IUPAC2-diethoxyphosphoryl-2-methylpyrrolidine
SMILESCCOP(=O)(OCC)C1(C)CCCN1
InChIInChI=1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3
InChIKeyUJLWZCRCTUPTKJ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.35
Rot. Bonds5

About 2-diethoxyphosphoryl-2-methylpyrrolidine

2-diethoxyphosphoryl-2-methylpyrrolidine (PubChem CID 5007980) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-methylpyrrolidine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-methylpyrrolidine
PubChem CID5007980
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Name2-diethoxyphosphoryl-2-methylpyrrolidine
SMILESCCOP(=O)(OCC)C1(C)CCCN1
InChIInChI=1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3
InChIKeyUJLWZCRCTUPTKJ-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-methylpyrrolidine?
The IUPAC name of 2-diethoxyphosphoryl-2-methylpyrrolidine (CID 5007980) is 2-diethoxyphosphoryl-2-methylpyrrolidine.
What is the SMILES notation for 2-diethoxyphosphoryl-2-methylpyrrolidine?
The canonical SMILES for 2-diethoxyphosphoryl-2-methylpyrrolidine is CCOP(=O)(OCC)C1(C)CCCN1.
What is the InChIKey of 2-diethoxyphosphoryl-2-methylpyrrolidine?
The InChIKey is UJLWZCRCTUPTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-2-methylpyrrolidine?
2-diethoxyphosphoryl-2-methylpyrrolidine has a molecular weight of 221.24 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-methylpyrrolidine is sourced from PubChem (CID 5007980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).