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

C12H24N3O3P — CID 174949152

IUPAC1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
SMILESO=P(ON1CCCC1)(ON1CCCC1)N1CCCC1
InChIInChI=1S/C12H24N3O3P/c16-19(15-11-5-6-12-15,17-13-7-1-2-8-13)18-14-9-3-4-10-14/h1-12H2
InChIKeySVZBNKXIZQXFTI-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.25
Rot. Bonds5

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

1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine (PubChem CID 174949152) has the molecular formula C12H24N3O3P and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine.

Molecular Properties

Compound Name1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
PubChem CID174949152
Molecular FormulaC12H24N3O3P
Molecular Weight289.32 g/mol
Exact Mass289.16
IUPAC Name1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
SMILESO=P(ON1CCCC1)(ON1CCCC1)N1CCCC1
InChIInChI=1S/C12H24N3O3P/c16-19(15-11-5-6-12-15,17-13-7-1-2-8-13)18-14-9-3-4-10-14/h1-12H2
InChIKeySVZBNKXIZQXFTI-UHFFFAOYSA-N
XLogP2.25
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1',1''-Phosphinylidynetris(pyrrolidine)
CID 80866
1-[Amino(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
CID 91322273
N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid
CID 67061251
Dipyrrolidin-1-yl hydrogen phosphate
CID 67301848
Tripyrrolidin-1-yl phosphate
CID 68158991
(2-Bromopyrrolidin-1-yl) dipyrrolidin-1-yl phosphate
CID 150600884

Frequently Asked Questions

What is the IUPAC name of 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The IUPAC name of 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine (CID 174949152) is 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine.
What is the SMILES notation for 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The canonical SMILES for 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine is O=P(ON1CCCC1)(ON1CCCC1)N1CCCC1.
What is the InChIKey of 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
The InChIKey is SVZBNKXIZQXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3O3P/c16-19(15-11-5-6-12-15,17-13-7-1-2-8-13)18-14-9-3-4-10-14/h1-12H2.
What are the key properties of 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine?
1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine has a molecular weight of 289.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine is sourced from PubChem (CID 174949152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).