1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine

C8H18N3O3P — CID 91322273

IUPAC1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
SMILESNP(=O)(ON1CCCC1)ON1CCCC1
InChIInChI=1S/C8H18N3O3P/c9-15(12,13-10-5-1-2-6-10)14-11-7-3-4-8-11/h1-8H2,(H2,9,12)
InChIKeyZZHPYLJODUBLAY-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.11
Rot. Bonds4

About 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine

1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine (PubChem CID 91322273) has the molecular formula C8H18N3O3P and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine.

Molecular Properties

Compound Name1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
PubChem CID91322273
Molecular FormulaC8H18N3O3P
Molecular Weight235.22 g/mol
Exact Mass235.11
IUPAC Name1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
SMILESNP(=O)(ON1CCCC1)ON1CCCC1
InChIInChI=1S/C8H18N3O3P/c9-15(12,13-10-5-1-2-6-10)14-11-7-3-4-8-11/h1-8H2,(H2,9,12)
InChIKeyZZHPYLJODUBLAY-UHFFFAOYSA-N
XLogP1.11
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The IUPAC name of 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine (CID 91322273) is 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine.
What is the SMILES notation for 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The canonical SMILES for 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine is NP(=O)(ON1CCCC1)ON1CCCC1.
What is the InChIKey of 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The InChIKey is ZZHPYLJODUBLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3O3P/c9-15(12,13-10-5-1-2-6-10)14-11-7-3-4-8-11/h1-8H2,(H2,9,12).
What are the key properties of 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine has a molecular weight of 235.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine is sourced from PubChem (CID 91322273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).