pyrrolidin-1-ylphosphonic acid

C4H10NO3P — CID 18956500

IUPACpyrrolidin-1-ylphosphonic acid
SMILESO=P(O)(O)N1CCCC1
InChIInChI=1S/C4H10NO3P/c6-9(7,8)5-3-1-2-4-5/h1-4H2,(H2,6,7,8)
InChIKeyGAFKHTBZIUDDOJ-UHFFFAOYSA-N
MW151.10 g/mol
LogP0.17
Rot. Bonds1

About pyrrolidin-1-ylphosphonic acid

pyrrolidin-1-ylphosphonic acid (PubChem CID 18956500) has the molecular formula C4H10NO3P and a molecular weight of 151.10 g/mol. Its IUPAC name is pyrrolidin-1-ylphosphonic acid.

Molecular Properties

Compound Namepyrrolidin-1-ylphosphonic acid
PubChem CID18956500
Molecular FormulaC4H10NO3P
Molecular Weight151.10 g/mol
Exact Mass151.04
IUPAC Namepyrrolidin-1-ylphosphonic acid
SMILESO=P(O)(O)N1CCCC1
InChIInChI=1S/C4H10NO3P/c6-9(7,8)5-3-1-2-4-5/h1-4H2,(H2,6,7,8)
InChIKeyGAFKHTBZIUDDOJ-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pyrrolidin-1-ylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-ylphosphonic acid
CID 13100816
(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
CID 142800838
N-dipyrrolidin-1-ylphosphoryl-N-methylmethanamine
CID 23274141
cyclohexane;phosphoric acid
CID 66712199
azetidine;phosphoric acid
CID 172755037
1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
CID 174949152
cyano(pyrrolidin-1-yloxy)phosphinic acid
CID 54056466
piperidin-1-ylmethylsulfanylphosphonic acid
CID 167617396
imino-tri(piperidin-1-yl)-λ5-phosphane
CID 12824542
azane;cyclopropane;phosphoric acid
CID 67655484
1-diethoxyphosphorylpyrrolidine
CID 10750826
1-[chloro(pyrrolidin-1-yl)methyl]pyrrolidine;fluorophosphonic acid
CID 173191697

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylphosphonic acid?
The IUPAC name of pyrrolidin-1-ylphosphonic acid (CID 18956500) is pyrrolidin-1-ylphosphonic acid.
What is the SMILES notation for pyrrolidin-1-ylphosphonic acid?
The canonical SMILES for pyrrolidin-1-ylphosphonic acid is O=P(O)(O)N1CCCC1.
What is the InChIKey of pyrrolidin-1-ylphosphonic acid?
The InChIKey is GAFKHTBZIUDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3P/c6-9(7,8)5-3-1-2-4-5/h1-4H2,(H2,6,7,8).
What are the key properties of pyrrolidin-1-ylphosphonic acid?
pyrrolidin-1-ylphosphonic acid has a molecular weight of 151.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylphosphonic acid is sourced from PubChem (CID 18956500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).