ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium

C8H19NO3P+ — CID 87909379

IUPACethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C.C=CP(=O)(O)O
InChIInChI=1S/C6H14N.C2H5O3P/c1-5-6-7(2,3)4;1-2-6(3,4)5/h5H,1,6H2,2-4H3;2H,1H2,(H2,3,4,5)/q+1;
InChIKeyAJKDPHIAUWGLQQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.19
Rot. Bonds3

About ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium

ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium (PubChem CID 87909379) has the molecular formula C8H19NO3P+ and a molecular weight of 208.22 g/mol. Its IUPAC name is ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Nameethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
PubChem CID87909379
Molecular FormulaC8H19NO3P+
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Nameethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C.C=CP(=O)(O)O
InChIInChI=1S/C6H14N.C2H5O3P/c1-5-6-7(2,3)4;1-2-6(3,4)5/h5H,1,6H2,2-4H3;2H,1H2,(H2,3,4,5)/q+1;
InChIKeyAJKDPHIAUWGLQQ-UHFFFAOYSA-N
XLogP1.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
trimethyl(prop-2-enyl)azanium nitrite
CID 87073943
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506
dihydrogen phosphate;triethyl(prop-2-enyl)azanium
CID 173387708
ethenylphosphonic acid;propane-1,3-diol
CID 159146855
4-methylbenzenesulfonic acid;trimethyl(prop-2-enyl)azanium
CID 6713455
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
ethenylphosphonic acid;oxirane
CID 174918550

Frequently Asked Questions

What is the IUPAC name of ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium?
The IUPAC name of ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium (CID 87909379) is ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium.
What is the SMILES notation for ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium?
The canonical SMILES for ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium is C=CC[N+](C)(C)C.C=CP(=O)(O)O.
What is the InChIKey of ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium?
The InChIKey is AJKDPHIAUWGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C2H5O3P/c1-5-6-7(2,3)4;1-2-6(3,4)5/h5H,1,6H2,2-4H3;2H,1H2,(H2,3,4,5)/q+1;.
What are the key properties of ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium?
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium has a molecular weight of 208.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium is sourced from PubChem (CID 87909379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).