Phosphocyclopentadiene

C5H5O2P — CID 18459630

IUPAC—
SMILESO=P(=O)C1=CC=CC1
InChIInChI=1S/C5H5O2P/c6-8(7)5-3-1-2-4-5/h1-3H,4H2
InChIKeyHFBFHSZJGYITHA-UHFFFAOYSA-N
MW128.07 g/mol
LogP2.00
Rot. Bonds1

About Phosphocyclopentadiene

Phosphocyclopentadiene (PubChem CID 18459630) has the molecular formula C5H5O2P and a molecular weight of 128.07 g/mol.

Molecular Properties

Compound NamePhosphocyclopentadiene
PubChem CID18459630
Molecular FormulaC5H5O2P
Molecular Weight128.07 g/mol
Exact Mass128.00
IUPAC Name—
SMILESO=P(=O)C1=CC=CC1
InChIInChI=1S/C5H5O2P/c6-8(7)5-3-1-2-4-5/h1-3H,4H2
InChIKeyHFBFHSZJGYITHA-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Phosphocyclopentadiene?
The IUPAC name of Phosphocyclopentadiene (CID 18459630) is not available.
What is the SMILES notation for Phosphocyclopentadiene?
The canonical SMILES for Phosphocyclopentadiene is O=P(=O)C1=CC=CC1.
What is the InChIKey of Phosphocyclopentadiene?
The InChIKey is HFBFHSZJGYITHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O2P/c6-8(7)5-3-1-2-4-5/h1-3H,4H2.
What are the key properties of Phosphocyclopentadiene?
Phosphocyclopentadiene has a molecular weight of 128.07 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphocyclopentadiene is sourced from PubChem (CID 18459630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).