2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)

C15H17LiNO- — CID 140559041

IUPAC2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)
SMILESCc1ccc(/[NH+]=C/c2ccccc2[O-])c(C)c1.[LiH2-]
InChIInChI=1S/C15H15NO.Li.2H/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17;;;/h3-10,17H,1-2H3;;;/q;-1;;/b16-10+;;;
InChIKeyAQHPJNBPQBRCOE-BCSAYTTPSA-N
MW234.25 g/mol
LogP0.29
Rot. Bonds2

About 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)

2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-) (PubChem CID 140559041) has the molecular formula C15H17LiNO- and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-).

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)
PubChem CID140559041
Molecular FormulaC15H17LiNO-
Molecular Weight234.25 g/mol
Exact Mass234.15
IUPAC Name2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)
SMILESCc1ccc(/[NH+]=C/c2ccccc2[O-])c(C)c1.[LiH2-]
InChIInChI=1S/C15H15NO.Li.2H/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17;;;/h3-10,17H,1-2H3;;;/q;-1;;/b16-10+;;;
InChIKeyAQHPJNBPQBRCOE-BCSAYTTPSA-N
XLogP0.29
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.29
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 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)?
The IUPAC name of 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-) (CID 140559041) is 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-).
What is the SMILES notation for 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)?
The canonical SMILES for 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-) is Cc1ccc(/[NH+]=C/c2ccccc2[O-])c(C)c1.[LiH2-].
What is the InChIKey of 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)?
The InChIKey is AQHPJNBPQBRCOE-BCSAYTTPSA-N. The full InChI is InChI=1S/C15H15NO.Li.2H/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17;;;/h3-10,17H,1-2H3;;;/q;-1;;/b16-10+;;;.
What are the key properties of 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)?
2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-) has a molecular weight of 234.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-) is sourced from PubChem (CID 140559041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).