cyclopenten-1-ylphosphonic acid

C5H9O3P — CID 19104464

IUPACcyclopenten-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CCCC1
InChIInChI=1S/C5H9O3P/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H2,6,7,8)
InChIKeyLJSIHGNMGKWNIB-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.23
Rot. Bonds1

About cyclopenten-1-ylphosphonic acid

cyclopenten-1-ylphosphonic acid (PubChem CID 19104464) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is cyclopenten-1-ylphosphonic acid.

Molecular Properties

Compound Namecyclopenten-1-ylphosphonic acid
PubChem CID19104464
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Namecyclopenten-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CCCC1
InChIInChI=1S/C5H9O3P/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H2,6,7,8)
InChIKeyLJSIHGNMGKWNIB-UHFFFAOYSA-N
XLogP1.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylphosphonic acid?
The IUPAC name of cyclopenten-1-ylphosphonic acid (CID 19104464) is cyclopenten-1-ylphosphonic acid.
What is the SMILES notation for cyclopenten-1-ylphosphonic acid?
The canonical SMILES for cyclopenten-1-ylphosphonic acid is O=P(O)(O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-ylphosphonic acid?
The InChIKey is LJSIHGNMGKWNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H2,6,7,8).
What are the key properties of cyclopenten-1-ylphosphonic acid?
cyclopenten-1-ylphosphonic acid has a molecular weight of 148.10 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylphosphonic acid is sourced from PubChem (CID 19104464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).