trimethyl-[(E)-2-phosphonoethenyl]azanium

C5H13NO3P+ — CID 169492840

IUPACtrimethyl-[(E)-2-phosphonoethenyl]azanium
SMILESC[N+](C)(C)/C=C/P(=O)(O)O
InChIInChI=1S/C5H12NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H-,7,8,9)/p+1/b5-4+
InChIKeyGISKBGPLPFUURD-SNAWJCMRSA-O
MW166.14 g/mol
LogP0.34
Rot. Bonds2

About trimethyl-[(E)-2-phosphonoethenyl]azanium

trimethyl-[(E)-2-phosphonoethenyl]azanium (PubChem CID 169492840) has the molecular formula C5H13NO3P+ and a molecular weight of 166.14 g/mol. Its IUPAC name is trimethyl-[(E)-2-phosphonoethenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-2-phosphonoethenyl]azanium
PubChem CID169492840
Molecular FormulaC5H13NO3P+
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Nametrimethyl-[(E)-2-phosphonoethenyl]azanium
SMILESC[N+](C)(C)/C=C/P(=O)(O)O
InChIInChI=1S/C5H12NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H-,7,8,9)/p+1/b5-4+
InChIKeyGISKBGPLPFUURD-SNAWJCMRSA-O
XLogP0.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

germane;phosphoric acid;sulfane
CID 175489439
hydrogen phosphate;bis(tetramethylazanium)
CID 14746851
3-chlorobut-1-enylphosphonic acid
CID 175522389
pent-1-enylphosphonic acid
CID 54140925
[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
CID 151295904
3-chloroprop-1-enylphosphonic acid
CID 54206738
[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
CID 14924303
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
4-fluorobuta-1,3-dienylphosphonic acid;phosphoric acid
CID 175435756
dec-1-enylphosphonic acid
CID 54269963
[(E)-octadec-1-enyl]phosphonic acid
CID 21162971
buta-1,3-dienyl(trimethyl)azanium bromide
CID 71380318

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-phosphonoethenyl]azanium?
The IUPAC name of trimethyl-[(E)-2-phosphonoethenyl]azanium (CID 169492840) is trimethyl-[(E)-2-phosphonoethenyl]azanium.
What is the SMILES notation for trimethyl-[(E)-2-phosphonoethenyl]azanium?
The canonical SMILES for trimethyl-[(E)-2-phosphonoethenyl]azanium is C[N+](C)(C)/C=C/P(=O)(O)O.
What is the InChIKey of trimethyl-[(E)-2-phosphonoethenyl]azanium?
The InChIKey is GISKBGPLPFUURD-SNAWJCMRSA-O. The full InChI is InChI=1S/C5H12NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H-,7,8,9)/p+1/b5-4+.
What are the key properties of trimethyl-[(E)-2-phosphonoethenyl]azanium?
trimethyl-[(E)-2-phosphonoethenyl]azanium has a molecular weight of 166.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-phosphonoethenyl]azanium is sourced from PubChem (CID 169492840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).