cyano(pyrrolidin-1-yloxy)phosphinic acid

C5H9N2O3P — CID 54056466

IUPACcyano(pyrrolidin-1-yloxy)phosphinic acid
SMILESN#CP(=O)(O)ON1CCCC1
InChIInChI=1S/C5H9N2O3P/c6-5-11(8,9)10-7-3-1-2-4-7/h1-4H2,(H,8,9)
InChIKeyLWPNODQQNZHHIU-UHFFFAOYSA-N
MW176.11 g/mol
LogP0.68
Rot. Bonds2

About cyano(pyrrolidin-1-yloxy)phosphinic acid

cyano(pyrrolidin-1-yloxy)phosphinic acid (PubChem CID 54056466) has the molecular formula C5H9N2O3P and a molecular weight of 176.11 g/mol. Its IUPAC name is cyano(pyrrolidin-1-yloxy)phosphinic acid.

Molecular Properties

Compound Namecyano(pyrrolidin-1-yloxy)phosphinic acid
PubChem CID54056466
Molecular FormulaC5H9N2O3P
Molecular Weight176.11 g/mol
Exact Mass176.04
IUPAC Namecyano(pyrrolidin-1-yloxy)phosphinic acid
SMILESN#CP(=O)(O)ON1CCCC1
InChIInChI=1S/C5H9N2O3P/c6-5-11(8,9)10-7-3-1-2-4-7/h1-4H2,(H,8,9)
InChIKeyLWPNODQQNZHHIU-UHFFFAOYSA-N
XLogP0.68
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 50.68
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 cyano(pyrrolidin-1-yloxy)phosphinic acid?
The IUPAC name of cyano(pyrrolidin-1-yloxy)phosphinic acid (CID 54056466) is cyano(pyrrolidin-1-yloxy)phosphinic acid.
What is the SMILES notation for cyano(pyrrolidin-1-yloxy)phosphinic acid?
The canonical SMILES for cyano(pyrrolidin-1-yloxy)phosphinic acid is N#CP(=O)(O)ON1CCCC1.
What is the InChIKey of cyano(pyrrolidin-1-yloxy)phosphinic acid?
The InChIKey is LWPNODQQNZHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O3P/c6-5-11(8,9)10-7-3-1-2-4-7/h1-4H2,(H,8,9).
What are the key properties of cyano(pyrrolidin-1-yloxy)phosphinic acid?
cyano(pyrrolidin-1-yloxy)phosphinic acid has a molecular weight of 176.11 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(pyrrolidin-1-yloxy)phosphinic acid is sourced from PubChem (CID 54056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).