chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid

C5H9ClNO4P — CID 175059600

IUPACchloro-(4-oxopiperidin-1-yl)oxyphosphinic acid
SMILESO=C1CCN(OP(=O)(O)Cl)CC1
InChIInChI=1S/C5H9ClNO4P/c6-12(9,10)11-7-3-1-5(8)2-4-7/h1-4H2,(H,9,10)
InChIKeyVNNHMQGGEDTEFY-UHFFFAOYSA-N
MW213.56 g/mol
LogP0.92
Rot. Bonds2

About chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid

chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid (PubChem CID 175059600) has the molecular formula C5H9ClNO4P and a molecular weight of 213.56 g/mol. Its IUPAC name is chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid.

Molecular Properties

Compound Namechloro-(4-oxopiperidin-1-yl)oxyphosphinic acid
PubChem CID175059600
Molecular FormulaC5H9ClNO4P
Molecular Weight213.56 g/mol
Exact Mass213.00
IUPAC Namechloro-(4-oxopiperidin-1-yl)oxyphosphinic acid
SMILESO=C1CCN(OP(=O)(O)Cl)CC1
InChIInChI=1S/C5H9ClNO4P/c6-12(9,10)11-7-3-1-5(8)2-4-7/h1-4H2,(H,9,10)
InChIKeyVNNHMQGGEDTEFY-UHFFFAOYSA-N
XLogP0.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid?
The IUPAC name of chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid (CID 175059600) is chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid.
What is the SMILES notation for chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid?
The canonical SMILES for chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid is O=C1CCN(OP(=O)(O)Cl)CC1.
What is the InChIKey of chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid?
The InChIKey is VNNHMQGGEDTEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClNO4P/c6-12(9,10)11-7-3-1-5(8)2-4-7/h1-4H2,(H,9,10).
What are the key properties of chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid?
chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid has a molecular weight of 213.56 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-oxopiperidin-1-yl)oxyphosphinic acid is sourced from PubChem (CID 175059600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).