oxido-(oxiran-2-ylmethylamino)-oxophosphanium

C3H6NO3P — CID 150809176

IUPACoxido-(oxiran-2-ylmethylamino)-oxophosphanium
SMILESO=[P+]([O-])NCC1CO1
InChIInChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H,4,5,6)
InChIKeyKHNKLZNUXJQGMN-UHFFFAOYSA-N
MW135.06 g/mol
LogP-1.01
Rot. Bonds3

About oxido-(oxiran-2-ylmethylamino)-oxophosphanium

oxido-(oxiran-2-ylmethylamino)-oxophosphanium (PubChem CID 150809176) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is oxido-(oxiran-2-ylmethylamino)-oxophosphanium.

Molecular Properties

Compound Nameoxido-(oxiran-2-ylmethylamino)-oxophosphanium
PubChem CID150809176
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Nameoxido-(oxiran-2-ylmethylamino)-oxophosphanium
SMILESO=[P+]([O-])NCC1CO1
InChIInChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H,4,5,6)
InChIKeyKHNKLZNUXJQGMN-UHFFFAOYSA-N
XLogP-1.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxido-(oxiran-2-ylmethylamino)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxido-(oxiran-2-ylmethylamino)-oxophosphanium?
The IUPAC name of oxido-(oxiran-2-ylmethylamino)-oxophosphanium (CID 150809176) is oxido-(oxiran-2-ylmethylamino)-oxophosphanium.
What is the SMILES notation for oxido-(oxiran-2-ylmethylamino)-oxophosphanium?
The canonical SMILES for oxido-(oxiran-2-ylmethylamino)-oxophosphanium is O=[P+]([O-])NCC1CO1.
What is the InChIKey of oxido-(oxiran-2-ylmethylamino)-oxophosphanium?
The InChIKey is KHNKLZNUXJQGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H,4,5,6).
What are the key properties of oxido-(oxiran-2-ylmethylamino)-oxophosphanium?
oxido-(oxiran-2-ylmethylamino)-oxophosphanium has a molecular weight of 135.06 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(oxiran-2-ylmethylamino)-oxophosphanium is sourced from PubChem (CID 150809176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).