2-di(propan-2-yloxy)phosphorylpyrrolidine

C10H22NO3P — CID 146164510

IUPAC2-di(propan-2-yloxy)phosphorylpyrrolidine
SMILESCC(C)OP(=O)(OC(C)C)C1CCCN1
InChIInChI=1S/C10H22NO3P/c1-8(2)13-15(12,14-9(3)4)10-6-5-7-11-10/h8-11H,5-7H2,1-4H3
InChIKeyOGFVKDHHYTZYAQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.74
Rot. Bonds5

About 2-di(propan-2-yloxy)phosphorylpyrrolidine

2-di(propan-2-yloxy)phosphorylpyrrolidine (PubChem CID 146164510) has the molecular formula C10H22NO3P and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphorylpyrrolidine.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphorylpyrrolidine
PubChem CID146164510
Molecular FormulaC10H22NO3P
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Name2-di(propan-2-yloxy)phosphorylpyrrolidine
SMILESCC(C)OP(=O)(OC(C)C)C1CCCN1
InChIInChI=1S/C10H22NO3P/c1-8(2)13-15(12,14-9(3)4)10-6-5-7-11-10/h8-11H,5-7H2,1-4H3
InChIKeyOGFVKDHHYTZYAQ-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.74
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-di(propan-2-yloxy)phosphorylpyrrolidine?
The IUPAC name of 2-di(propan-2-yloxy)phosphorylpyrrolidine (CID 146164510) is 2-di(propan-2-yloxy)phosphorylpyrrolidine.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphorylpyrrolidine?
The canonical SMILES for 2-di(propan-2-yloxy)phosphorylpyrrolidine is CC(C)OP(=O)(OC(C)C)C1CCCN1.
What is the InChIKey of 2-di(propan-2-yloxy)phosphorylpyrrolidine?
The InChIKey is OGFVKDHHYTZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3P/c1-8(2)13-15(12,14-9(3)4)10-6-5-7-11-10/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-di(propan-2-yloxy)phosphorylpyrrolidine?
2-di(propan-2-yloxy)phosphorylpyrrolidine has a molecular weight of 235.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphorylpyrrolidine is sourced from PubChem (CID 146164510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).