3-dimethylphosphorylpyrrolidine;ethane

C8H20NOP — CID 145388833

IUPAC3-dimethylphosphorylpyrrolidine;ethane
SMILESCC.CP(C)(=O)C1CCNC1
InChIInChI=1S/C6H14NOP.C2H6/c1-9(2,8)6-3-4-7-5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyGDOBAGFGULIEJX-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.00
Rot. Bonds1

About 3-dimethylphosphorylpyrrolidine;ethane

3-dimethylphosphorylpyrrolidine;ethane (PubChem CID 145388833) has the molecular formula C8H20NOP and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-dimethylphosphorylpyrrolidine;ethane.

Molecular Properties

Compound Name3-dimethylphosphorylpyrrolidine;ethane
PubChem CID145388833
Molecular FormulaC8H20NOP
Molecular Weight177.23 g/mol
Exact Mass177.13
IUPAC Name3-dimethylphosphorylpyrrolidine;ethane
SMILESCC.CP(C)(=O)C1CCNC1
InChIInChI=1S/C6H14NOP.C2H6/c1-9(2,8)6-3-4-7-5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyGDOBAGFGULIEJX-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.00
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 3-dimethylphosphorylpyrrolidine;ethane?
The IUPAC name of 3-dimethylphosphorylpyrrolidine;ethane (CID 145388833) is 3-dimethylphosphorylpyrrolidine;ethane.
What is the SMILES notation for 3-dimethylphosphorylpyrrolidine;ethane?
The canonical SMILES for 3-dimethylphosphorylpyrrolidine;ethane is CC.CP(C)(=O)C1CCNC1.
What is the InChIKey of 3-dimethylphosphorylpyrrolidine;ethane?
The InChIKey is GDOBAGFGULIEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP.C2H6/c1-9(2,8)6-3-4-7-5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3-dimethylphosphorylpyrrolidine;ethane?
3-dimethylphosphorylpyrrolidine;ethane has a molecular weight of 177.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphorylpyrrolidine;ethane is sourced from PubChem (CID 145388833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).