1-(dimethylamino)ethenyl-ethoxyphosphinic acid

C6H14NO3P — CID 88843519

IUPAC1-(dimethylamino)ethenyl-ethoxyphosphinic acid
SMILESC=C(N(C)C)P(=O)(O)OCC
InChIInChI=1S/C6H14NO3P/c1-5-10-11(8,9)6(2)7(3)4/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyFJOBUTHJZPXFTJ-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.24
Rot. Bonds4

About 1-(dimethylamino)ethenyl-ethoxyphosphinic acid

1-(dimethylamino)ethenyl-ethoxyphosphinic acid (PubChem CID 88843519) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is 1-(dimethylamino)ethenyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name1-(dimethylamino)ethenyl-ethoxyphosphinic acid
PubChem CID88843519
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name1-(dimethylamino)ethenyl-ethoxyphosphinic acid
SMILESC=C(N(C)C)P(=O)(O)OCC
InChIInChI=1S/C6H14NO3P/c1-5-10-11(8,9)6(2)7(3)4/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyFJOBUTHJZPXFTJ-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethenyl-ethoxyphosphinic acid?
The IUPAC name of 1-(dimethylamino)ethenyl-ethoxyphosphinic acid (CID 88843519) is 1-(dimethylamino)ethenyl-ethoxyphosphinic acid.
What is the SMILES notation for 1-(dimethylamino)ethenyl-ethoxyphosphinic acid?
The canonical SMILES for 1-(dimethylamino)ethenyl-ethoxyphosphinic acid is C=C(N(C)C)P(=O)(O)OCC.
What is the InChIKey of 1-(dimethylamino)ethenyl-ethoxyphosphinic acid?
The InChIKey is FJOBUTHJZPXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-5-10-11(8,9)6(2)7(3)4/h2,5H2,1,3-4H3,(H,8,9).
What are the key properties of 1-(dimethylamino)ethenyl-ethoxyphosphinic acid?
1-(dimethylamino)ethenyl-ethoxyphosphinic acid has a molecular weight of 179.16 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethenyl-ethoxyphosphinic acid is sourced from PubChem (CID 88843519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).