oxo-di(prop-2-enoyl)phosphanium

C6H6O3P+ — CID 56989875

IUPACoxo-di(prop-2-enoyl)phosphanium
SMILESC=CC(=O)[P+](=O)C(=O)C=C
InChIInChI=1S/C6H6O3P/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H2/q+1
InChIKeyNWGUODVTXURLOX-UHFFFAOYSA-N
MW157.08 g/mol
LogP1.24
Rot. Bonds4

About oxo-di(prop-2-enoyl)phosphanium

oxo-di(prop-2-enoyl)phosphanium (PubChem CID 56989875) has the molecular formula C6H6O3P+ and a molecular weight of 157.08 g/mol. Its IUPAC name is oxo-di(prop-2-enoyl)phosphanium.

Molecular Properties

Compound Nameoxo-di(prop-2-enoyl)phosphanium
PubChem CID56989875
Molecular FormulaC6H6O3P+
Molecular Weight157.08 g/mol
Exact Mass157.00
IUPAC Nameoxo-di(prop-2-enoyl)phosphanium
SMILESC=CC(=O)[P+](=O)C(=O)C=C
InChIInChI=1S/C6H6O3P/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H2/q+1
InChIKeyNWGUODVTXURLOX-UHFFFAOYSA-N
XLogP1.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.08
LogP ≤ 51.24
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

sodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173229476
tritio prop-2-enoate
CID 140773337
disodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173032762
methane;penta-1,4-dien-3-one
CID 174748125
prop-2-enoyl chloride
CID 23168843
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054
prop-2-enoic acid;hexahydrate
CID 172682107

Frequently Asked Questions

What is the IUPAC name of oxo-di(prop-2-enoyl)phosphanium?
The IUPAC name of oxo-di(prop-2-enoyl)phosphanium (CID 56989875) is oxo-di(prop-2-enoyl)phosphanium.
What is the SMILES notation for oxo-di(prop-2-enoyl)phosphanium?
The canonical SMILES for oxo-di(prop-2-enoyl)phosphanium is C=CC(=O)[P+](=O)C(=O)C=C.
What is the InChIKey of oxo-di(prop-2-enoyl)phosphanium?
The InChIKey is NWGUODVTXURLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3P/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H2/q+1.
What are the key properties of oxo-di(prop-2-enoyl)phosphanium?
oxo-di(prop-2-enoyl)phosphanium has a molecular weight of 157.08 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(prop-2-enoyl)phosphanium is sourced from PubChem (CID 56989875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).