lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine

C12H17LiNO3P — CID 10901383

IUPAClithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine
SMILESCCOP(=O)([CH-]/N=C/c1ccccc1)OCC.[Li+]
InChIInChI=1S/C12H17NO3P.Li/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;/q-1;+1/b13-10+;
InChIKeyWBHIMMDDEVQAIW-RSGUCCNWSA-N
MW261.19 g/mol
LogP0.49
Rot. Bonds7

About lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine

lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine (PubChem CID 10901383) has the molecular formula C12H17LiNO3P and a molecular weight of 261.19 g/mol. Its IUPAC name is lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine.

Molecular Properties

Compound Namelithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine
PubChem CID10901383
Molecular FormulaC12H17LiNO3P
Molecular Weight261.19 g/mol
Exact Mass261.11
IUPAC Namelithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine
SMILESCCOP(=O)([CH-]/N=C/c1ccccc1)OCC.[Li+]
InChIInChI=1S/C12H17NO3P.Li/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;/q-1;+1/b13-10+;
InChIKeyWBHIMMDDEVQAIW-RSGUCCNWSA-N
XLogP0.49
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The IUPAC name of lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine (CID 10901383) is lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine.
What is the SMILES notation for lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The canonical SMILES for lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine is CCOP(=O)([CH-]/N=C/c1ccccc1)OCC.[Li+].
What is the InChIKey of lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The InChIKey is WBHIMMDDEVQAIW-RSGUCCNWSA-N. The full InChI is InChI=1S/C12H17NO3P.Li/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;/q-1;+1/b13-10+;.
What are the key properties of lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine has a molecular weight of 261.19 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-N-(diethoxyphosphorylmethyl)-1-phenylmethanimine is sourced from PubChem (CID 10901383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).