ethyl-(methylamino)-oxophosphanium

C3H9NOP+ — CID 89225684

IUPACethyl-(methylamino)-oxophosphanium
SMILESCC[P+](=O)NC
InChIInChI=1S/C3H9NOP/c1-3-6(5)4-2/h3H2,1-2H3,(H,4,5)/q+1
InChIKeyKOPDHKREFYLWHM-UHFFFAOYSA-N
MW106.08 g/mol
LogP0.97
Rot. Bonds2

About ethyl-(methylamino)-oxophosphanium

ethyl-(methylamino)-oxophosphanium (PubChem CID 89225684) has the molecular formula C3H9NOP+ and a molecular weight of 106.08 g/mol. Its IUPAC name is ethyl-(methylamino)-oxophosphanium.

Molecular Properties

Compound Nameethyl-(methylamino)-oxophosphanium
PubChem CID89225684
Molecular FormulaC3H9NOP+
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Nameethyl-(methylamino)-oxophosphanium
SMILESCC[P+](=O)NC
InChIInChI=1S/C3H9NOP/c1-3-6(5)4-2/h3H2,1-2H3,(H,4,5)/q+1
InChIKeyKOPDHKREFYLWHM-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethyl-(methylamino)-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 ethyl-(methylamino)-oxophosphanium?
The IUPAC name of ethyl-(methylamino)-oxophosphanium (CID 89225684) is ethyl-(methylamino)-oxophosphanium.
What is the SMILES notation for ethyl-(methylamino)-oxophosphanium?
The canonical SMILES for ethyl-(methylamino)-oxophosphanium is CC[P+](=O)NC.
What is the InChIKey of ethyl-(methylamino)-oxophosphanium?
The InChIKey is KOPDHKREFYLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOP/c1-3-6(5)4-2/h3H2,1-2H3,(H,4,5)/q+1.
What are the key properties of ethyl-(methylamino)-oxophosphanium?
ethyl-(methylamino)-oxophosphanium has a molecular weight of 106.08 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(methylamino)-oxophosphanium is sourced from PubChem (CID 89225684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).