2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium

C5H11NO2P+ — CID 67723810

IUPAC2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium
SMILESC[N+](C)(C#P=O)CCO
InChIInChI=1S/C5H11NO2P/c1-6(2,3-4-7)5-9-8/h7H,3-4H2,1-2H3/q+1
InChIKeyNJNWCIAPVGRBHO-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.26
Rot. Bonds2

About 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium

2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium (PubChem CID 67723810) has the molecular formula C5H11NO2P+ and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium
PubChem CID67723810
Molecular FormulaC5H11NO2P+
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium
SMILESC[N+](C)(C#P=O)CCO
InChIInChI=1S/C5H11NO2P/c1-6(2,3-4-7)5-9-8/h7H,3-4H2,1-2H3/q+1
InChIKeyNJNWCIAPVGRBHO-UHFFFAOYSA-N
XLogP0.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium (CID 67723810) is 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium is C[N+](C)(C#P=O)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium?
The InChIKey is NJNWCIAPVGRBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2P/c1-6(2,3-4-7)5-9-8/h7H,3-4H2,1-2H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium?
2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium has a molecular weight of 148.12 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-[(oxo-λ5-phosphanylidyne)methyl]azanium is sourced from PubChem (CID 67723810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).