sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium

C5H10NNaO3P+ — CID 87188057

IUPACsodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium
SMILESCCO/N=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/b6-5-;
InChIKeySKNRWWDPASVGQB-YSMBQZINSA-N
MW186.10 g/mol
LogP-2.49
Rot. Bonds4

About sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium

sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium (PubChem CID 87188057) has the molecular formula C5H10NNaO3P+ and a molecular weight of 186.10 g/mol. Its IUPAC name is sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium
PubChem CID87188057
Molecular FormulaC5H10NNaO3P+
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Namesodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium
SMILESCCO/N=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/b6-5-;
InChIKeySKNRWWDPASVGQB-YSMBQZINSA-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 [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium?
The IUPAC name of sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium (CID 87188057) is sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium.
What is the SMILES notation for sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium?
The canonical SMILES for sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium is CCO/N=C(/C)C[P+](=O)[O-].[Na+].
What is the InChIKey of sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium?
The InChIKey is SKNRWWDPASVGQB-YSMBQZINSA-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/b6-5-;.
What are the key properties of sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium?
sodium [(2Z)-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 [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium is sourced from PubChem (CID 87188057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).