2-dimethylphosphorylpyrrolidine

C6H14NOP — CID 138987796

IUPAC2-dimethylphosphorylpyrrolidine
SMILESCP(C)(=O)C1CCCN1
InChIInChI=1S/C6H14NOP/c1-9(2,8)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3
InChIKeyLNSZZEATXUWRBZ-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.32
Rot. Bonds1

About 2-dimethylphosphorylpyrrolidine

2-dimethylphosphorylpyrrolidine (PubChem CID 138987796) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 2-dimethylphosphorylpyrrolidine.

Molecular Properties

Compound Name2-dimethylphosphorylpyrrolidine
PubChem CID138987796
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name2-dimethylphosphorylpyrrolidine
SMILESCP(C)(=O)C1CCCN1
InChIInChI=1S/C6H14NOP/c1-9(2,8)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3
InChIKeyLNSZZEATXUWRBZ-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.32
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 2-dimethylphosphorylpyrrolidine?
The IUPAC name of 2-dimethylphosphorylpyrrolidine (CID 138987796) is 2-dimethylphosphorylpyrrolidine.
What is the SMILES notation for 2-dimethylphosphorylpyrrolidine?
The canonical SMILES for 2-dimethylphosphorylpyrrolidine is CP(C)(=O)C1CCCN1.
What is the InChIKey of 2-dimethylphosphorylpyrrolidine?
The InChIKey is LNSZZEATXUWRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-9(2,8)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-dimethylphosphorylpyrrolidine?
2-dimethylphosphorylpyrrolidine has a molecular weight of 147.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphorylpyrrolidine is sourced from PubChem (CID 138987796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).