prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid

C11H11N2O3P — CID 174387340

IUPACprop-2-enyl(quinoxalin-2-yloxy)phosphinic acid
SMILESC=CCP(=O)(O)Oc1cnc2ccccc2n1
InChIInChI=1S/C11H11N2O3P/c1-2-7-17(14,15)16-11-8-12-9-5-3-4-6-10(9)13-11/h2-6,8H,1,7H2,(H,14,15)
InChIKeyAFSJGMNRUNAROP-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.38
Rot. Bonds4

About prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid

prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid (PubChem CID 174387340) has the molecular formula C11H11N2O3P and a molecular weight of 250.19 g/mol. Its IUPAC name is prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameprop-2-enyl(quinoxalin-2-yloxy)phosphinic acid
PubChem CID174387340
Molecular FormulaC11H11N2O3P
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Nameprop-2-enyl(quinoxalin-2-yloxy)phosphinic acid
SMILESC=CCP(=O)(O)Oc1cnc2ccccc2n1
InChIInChI=1S/C11H11N2O3P/c1-2-7-17(14,15)16-11-8-12-9-5-3-4-6-10(9)13-11/h2-6,8H,1,7H2,(H,14,15)
InChIKeyAFSJGMNRUNAROP-UHFFFAOYSA-N
XLogP2.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid?
The IUPAC name of prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid (CID 174387340) is prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid.
What is the SMILES notation for prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid?
The canonical SMILES for prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid is C=CCP(=O)(O)Oc1cnc2ccccc2n1.
What is the InChIKey of prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid?
The InChIKey is AFSJGMNRUNAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O3P/c1-2-7-17(14,15)16-11-8-12-9-5-3-4-6-10(9)13-11/h2-6,8H,1,7H2,(H,14,15).
What are the key properties of prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid?
prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid has a molecular weight of 250.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid is sourced from PubChem (CID 174387340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).