hydroxy-(2-iminoethoxy)-oxophosphanium

C2H5NO3P+ — CID 87910469

IUPAChydroxy-(2-iminoethoxy)-oxophosphanium
SMILES[H]/N=C/CO[P+](=O)O
InChIInChI=1S/C2H4NO3P/c3-1-2-6-7(4)5/h1,3H,2H2/p+1/b3-1+
InChIKeyWIQDRVYCEVVSEM-HNQUOIGGSA-O
MW122.04 g/mol
LogP0.30
Rot. Bonds3

About hydroxy-(2-iminoethoxy)-oxophosphanium

hydroxy-(2-iminoethoxy)-oxophosphanium (PubChem CID 87910469) has the molecular formula C2H5NO3P+ and a molecular weight of 122.04 g/mol. Its IUPAC name is hydroxy-(2-iminoethoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-iminoethoxy)-oxophosphanium
PubChem CID87910469
Molecular FormulaC2H5NO3P+
Molecular Weight122.04 g/mol
Exact Mass122.00
IUPAC Namehydroxy-(2-iminoethoxy)-oxophosphanium
SMILES[H]/N=C/CO[P+](=O)O
InChIInChI=1S/C2H4NO3P/c3-1-2-6-7(4)5/h1,3H,2H2/p+1/b3-1+
InChIKeyWIQDRVYCEVVSEM-HNQUOIGGSA-O
XLogP0.30
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.04
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Iminodimethylene phosphoric acid
CID 91329206
Bis(2-iminoethoxy)-oxophosphanium
CID 87610229
2-Dichlorophosphoryloxyethanimine
CID 88159071
Hydroxy-(2-hydroxyiminoethoxy)-oxophosphanium
CID 175557814
N-(2-phosphorosooxyethylidene)hydroxylamine
CID 175557827
2-Hydroxyiminoethoxy(oxo)phosphanium
CID 175912659

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-iminoethoxy)-oxophosphanium?
The IUPAC name of hydroxy-(2-iminoethoxy)-oxophosphanium (CID 87910469) is hydroxy-(2-iminoethoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-iminoethoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(2-iminoethoxy)-oxophosphanium is [H]/N=C/CO[P+](=O)O.
What is the InChIKey of hydroxy-(2-iminoethoxy)-oxophosphanium?
The InChIKey is WIQDRVYCEVVSEM-HNQUOIGGSA-O. The full InChI is InChI=1S/C2H4NO3P/c3-1-2-6-7(4)5/h1,3H,2H2/p+1/b3-1+.
What are the key properties of hydroxy-(2-iminoethoxy)-oxophosphanium?
hydroxy-(2-iminoethoxy)-oxophosphanium has a molecular weight of 122.04 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-iminoethoxy)-oxophosphanium is sourced from PubChem (CID 87910469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).