lithium acetyl(phenyl)azanide

C8H8LiNO — CID 10877200

IUPAClithium acetyl(phenyl)azanide
SMILESCC(=O)[N-]c1ccccc1.[Li+]
InChIInChI=1S/C8H9NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-6H,1H3,(H,9,10);/q;+1/p-1
InChIKeyDMLDRXKFYATUSO-UHFFFAOYSA-M
MW141.10 g/mol
LogP-0.76
Rot. Bonds1

About lithium acetyl(phenyl)azanide

lithium acetyl(phenyl)azanide (PubChem CID 10877200) has the molecular formula C8H8LiNO and a molecular weight of 141.10 g/mol. Its IUPAC name is lithium acetyl(phenyl)azanide.

Molecular Properties

Compound Namelithium acetyl(phenyl)azanide
PubChem CID10877200
Molecular FormulaC8H8LiNO
Molecular Weight141.10 g/mol
Exact Mass141.08
IUPAC Namelithium acetyl(phenyl)azanide
SMILESCC(=O)[N-]c1ccccc1.[Li+]
InChIInChI=1S/C8H9NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-6H,1H3,(H,9,10);/q;+1/p-1
InChIKeyDMLDRXKFYATUSO-UHFFFAOYSA-M
XLogP-0.76
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide
CID 23704778
lithium 1-phenylethanone
CID 22269591
sodium;acetic acid;methanidylbenzene
CID 89310900
acetic acid;1,1'-biphenyl;ethane
CID 91464981
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
acetic acid;phenol
CID 70537927
acetic acid;1,1'-biphenyl;zinc
CID 70522083
lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide
CID 10263630
acetic acid;benzene;ethene
CID 70594790
biphenylene;propan-2-one
CID 174440223
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of lithium acetyl(phenyl)azanide?
The IUPAC name of lithium acetyl(phenyl)azanide (CID 10877200) is lithium acetyl(phenyl)azanide.
What is the SMILES notation for lithium acetyl(phenyl)azanide?
The canonical SMILES for lithium acetyl(phenyl)azanide is CC(=O)[N-]c1ccccc1.[Li+].
What is the InChIKey of lithium acetyl(phenyl)azanide?
The InChIKey is DMLDRXKFYATUSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-6H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium acetyl(phenyl)azanide?
lithium acetyl(phenyl)azanide has a molecular weight of 141.10 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium acetyl(phenyl)azanide is sourced from PubChem (CID 10877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).