azane;ethanol;prop-2-enylphosphonic acid

C9H28NO6P — CID 174385438

IUPACazane;ethanol;prop-2-enylphosphonic acid
SMILESC=CCP(=O)(O)O.CCO.CCO.CCO.N
InChIInChI=1S/C3H7O3P.3C2H6O.H3N/c1-2-3-7(4,5)6;3*1-2-3;/h2H,1,3H2,(H2,4,5,6);3*3H,2H2,1H3;1H3
InChIKeyMCVSKXXSQYUZIY-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.51
Rot. Bonds2

About azane;ethanol;prop-2-enylphosphonic acid

azane;ethanol;prop-2-enylphosphonic acid (PubChem CID 174385438) has the molecular formula C9H28NO6P and a molecular weight of 277.30 g/mol. Its IUPAC name is azane;ethanol;prop-2-enylphosphonic acid.

Molecular Properties

Compound Nameazane;ethanol;prop-2-enylphosphonic acid
PubChem CID174385438
Molecular FormulaC9H28NO6P
Molecular Weight277.30 g/mol
Exact Mass277.17
IUPAC Nameazane;ethanol;prop-2-enylphosphonic acid
SMILESC=CCP(=O)(O)O.CCO.CCO.CCO.N
InChIInChI=1S/C3H7O3P.3C2H6O.H3N/c1-2-3-7(4,5)6;3*1-2-3;/h2H,1,3H2,(H2,4,5,6);3*3H,2H2,1H3;1H3
InChIKeyMCVSKXXSQYUZIY-UHFFFAOYSA-N
XLogP0.51
TPSA153.22 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.30
LogP ≤ 50.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetylene;prop-2-enylphosphonic acid
CID 175361195
3-diethylphosphorylprop-1-ene
CID 13431646
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
4-phosphonobut-2-enylphosphonic acid
CID 54391538
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
azane;hydroxymethylphosphonic acid
CID 175028252
3-diethoxyphosphorylprop-1-ene
CID 573014
[(E)-hex-2-enyl]phosphonic acid
CID 101410418
potassium;dihydrogen phosphate;ethanol
CID 160928957
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
bis(dimethylphosphinic acid);platinum
CID 58918492
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504

Frequently Asked Questions

What is the IUPAC name of azane;ethanol;prop-2-enylphosphonic acid?
The IUPAC name of azane;ethanol;prop-2-enylphosphonic acid (CID 174385438) is azane;ethanol;prop-2-enylphosphonic acid.
What is the SMILES notation for azane;ethanol;prop-2-enylphosphonic acid?
The canonical SMILES for azane;ethanol;prop-2-enylphosphonic acid is C=CCP(=O)(O)O.CCO.CCO.CCO.N.
What is the InChIKey of azane;ethanol;prop-2-enylphosphonic acid?
The InChIKey is MCVSKXXSQYUZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P.3C2H6O.H3N/c1-2-3-7(4,5)6;3*1-2-3;/h2H,1,3H2,(H2,4,5,6);3*3H,2H2,1H3;1H3.
What are the key properties of azane;ethanol;prop-2-enylphosphonic acid?
azane;ethanol;prop-2-enylphosphonic acid has a molecular weight of 277.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;prop-2-enylphosphonic acid is sourced from PubChem (CID 174385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).