2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate

C5H5O3P — CID 87772316

IUPAC2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate
SMILESC=CC(=O)OCC#P=O
InChIInChI=1S/C5H5O3P/c1-2-5(6)8-3-4-9-7/h2H,1,3H2
InChIKeyIHHNIWBCTDBINV-UHFFFAOYSA-N
MW144.07 g/mol
LogP0.97
Rot. Bonds2

About 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate

2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate (PubChem CID 87772316) has the molecular formula C5H5O3P and a molecular weight of 144.07 g/mol. Its IUPAC name is 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate
PubChem CID87772316
Molecular FormulaC5H5O3P
Molecular Weight144.07 g/mol
Exact Mass144.00
IUPAC Name2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate
SMILESC=CC(=O)OCC#P=O
InChIInChI=1S/C5H5O3P/c1-2-5(6)8-3-4-9-7/h2H,1,3H2
InChIKeyIHHNIWBCTDBINV-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.07
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
CID 11030671
but-2-ynyl prop-2-enoate
CID 14910874
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
methane;prop-2-enyl prop-2-enoate
CID 87568259
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
buta-2,3-dienyl prop-2-enoate
CID 91383520
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
ethyl prop-2-enoate;hydroiodide
CID 159738872

Frequently Asked Questions

What is the IUPAC name of 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate?
The IUPAC name of 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate (CID 87772316) is 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate.
What is the SMILES notation for 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate?
The canonical SMILES for 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate is C=CC(=O)OCC#P=O.
What is the InChIKey of 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate?
The InChIKey is IHHNIWBCTDBINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O3P/c1-2-5(6)8-3-4-9-7/h2H,1,3H2.
What are the key properties of 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate?
2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate has a molecular weight of 144.07 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate is sourced from PubChem (CID 87772316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).