sodium 2-ethoxyiminopropyl-oxido-oxophosphanium

C5H10NNaO3P+ — CID 173027226

IUPACsodium 2-ethoxyiminopropyl-oxido-oxophosphanium
SMILESCCON=C(C)C[P+](=O)[O-].[Na+]
InChIInChI=1S/C5H10NO3P.Na/c1-3-9-6-5(2)4-10(7)8;/h3-4H2,1-2H3;/q;+1
InChIKeySKNRWWDPASVGQB-UHFFFAOYSA-N
MW186.10 g/mol
LogP-2.49
Rot. Bonds4

About sodium 2-ethoxyiminopropyl-oxido-oxophosphanium

sodium 2-ethoxyiminopropyl-oxido-oxophosphanium (PubChem CID 173027226) has the molecular formula C5H10NNaO3P+ and a molecular weight of 186.10 g/mol. Its IUPAC name is sodium 2-ethoxyiminopropyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium 2-ethoxyiminopropyl-oxido-oxophosphanium
PubChem CID173027226
Molecular FormulaC5H10NNaO3P+
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Namesodium 2-ethoxyiminopropyl-oxido-oxophosphanium
SMILESCCON=C(C)C[P+](=O)[O-].[Na+]
InChIInChI=1S/C5H10NO3P.Na/c1-3-9-6-5(2)4-10(7)8;/h3-4H2,1-2H3;/q;+1
InChIKeySKNRWWDPASVGQB-UHFFFAOYSA-N
XLogP-2.49
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxyiminopropyl-oxido-oxophosphanium?
The IUPAC name of sodium 2-ethoxyiminopropyl-oxido-oxophosphanium (CID 173027226) is sodium 2-ethoxyiminopropyl-oxido-oxophosphanium.
What is the SMILES notation for sodium 2-ethoxyiminopropyl-oxido-oxophosphanium?
The canonical SMILES for sodium 2-ethoxyiminopropyl-oxido-oxophosphanium is CCON=C(C)C[P+](=O)[O-].[Na+].
What is the InChIKey of sodium 2-ethoxyiminopropyl-oxido-oxophosphanium?
The InChIKey is SKNRWWDPASVGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P.Na/c1-3-9-6-5(2)4-10(7)8;/h3-4H2,1-2H3;/q;+1.
What are the key properties of sodium 2-ethoxyiminopropyl-oxido-oxophosphanium?
sodium 2-ethoxyiminopropyl-oxido-oxophosphanium has a molecular weight of 186.10 g/mol, XLogP of -2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxyiminopropyl-oxido-oxophosphanium is sourced from PubChem (CID 173027226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).