cyclopenta-1,3-dien-1-ylphosphonic acid

C5H7O3P — CID 66764807

IUPACcyclopenta-1,3-dien-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CC=CC1
InChIInChI=1S/C5H7O3P/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2,(H2,6,7,8)
InChIKeyJKQZPXNVGAKQEH-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.01
Rot. Bonds1

About cyclopenta-1,3-dien-1-ylphosphonic acid

cyclopenta-1,3-dien-1-ylphosphonic acid (PubChem CID 66764807) has the molecular formula C5H7O3P and a molecular weight of 146.08 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylphosphonic acid.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylphosphonic acid
PubChem CID66764807
Molecular FormulaC5H7O3P
Molecular Weight146.08 g/mol
Exact Mass146.01
IUPAC Namecyclopenta-1,3-dien-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CC=CC1
InChIInChI=1S/C5H7O3P/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2,(H2,6,7,8)
InChIKeyJKQZPXNVGAKQEH-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.01
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 cyclopenta-1,3-dien-1-ylphosphonic acid?
The IUPAC name of cyclopenta-1,3-dien-1-ylphosphonic acid (CID 66764807) is cyclopenta-1,3-dien-1-ylphosphonic acid.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylphosphonic acid?
The canonical SMILES for cyclopenta-1,3-dien-1-ylphosphonic acid is O=P(O)(O)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylphosphonic acid?
The InChIKey is JKQZPXNVGAKQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O3P/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2,(H2,6,7,8).
What are the key properties of cyclopenta-1,3-dien-1-ylphosphonic acid?
cyclopenta-1,3-dien-1-ylphosphonic acid has a molecular weight of 146.08 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylphosphonic acid is sourced from PubChem (CID 66764807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).