lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate

C14H15LiNO- — CID 140559057

IUPAClithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
SMILESCc1cccc(/[NH+]=C/c2ccccc2[O-])c1.[LiH2-]
InChIInChI=1S/C14H13NO.Li.2H/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16;;;/h2-10,16H,1H3;;;/q;-1;;/b15-10+;;;
InChIKeyGTUUXSQFVICPLH-RJQKUYQSSA-N
MW220.22 g/mol
LogP-0.02
Rot. Bonds2

About lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate

lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate (PubChem CID 140559057) has the molecular formula C14H15LiNO- and a molecular weight of 220.22 g/mol. Its IUPAC name is lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate.

Molecular Properties

Compound Namelithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
PubChem CID140559057
Molecular FormulaC14H15LiNO-
Molecular Weight220.22 g/mol
Exact Mass220.13
IUPAC Namelithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
SMILESCc1cccc(/[NH+]=C/c2ccccc2[O-])c1.[LiH2-]
InChIInChI=1S/C14H13NO.Li.2H/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16;;;/h2-10,16H,1H3;;;/q;-1;;/b15-10+;;;
InChIKeyGTUUXSQFVICPLH-RJQKUYQSSA-N
XLogP-0.02
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?
The IUPAC name of lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate (CID 140559057) is lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate.
What is the SMILES notation for lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?
The canonical SMILES for lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate is Cc1cccc(/[NH+]=C/c2ccccc2[O-])c1.[LiH2-].
What is the InChIKey of lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?
The InChIKey is GTUUXSQFVICPLH-RJQKUYQSSA-N. The full InChI is InChI=1S/C14H13NO.Li.2H/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16;;;/h2-10,16H,1H3;;;/q;-1;;/b15-10+;;;.
What are the key properties of lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?
lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate has a molecular weight of 220.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate is sourced from PubChem (CID 140559057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).