lithium;N,N-dimethylacetamide;chloride

C4H9ClLiNO — CID 87129072

IUPAClithium;N,N-dimethylacetamide;chloride
SMILESCC(=O)N(C)C.[Cl-].[Li+]
InChIInChI=1S/C4H9NO.ClH.Li/c1-4(6)5(2)3;;/h1-3H3;1H;/q;;+1/p-1
InChIKeyYPJJABHAGGFGAM-UHFFFAOYSA-M
MW129.52 g/mol
LogP-5.90
Rot. Bonds

About lithium;N,N-dimethylacetamide;chloride

lithium;N,N-dimethylacetamide;chloride (PubChem CID 87129072) has the molecular formula C4H9ClLiNO and a molecular weight of 129.52 g/mol. Its IUPAC name is lithium;N,N-dimethylacetamide;chloride.

Molecular Properties

Compound Namelithium;N,N-dimethylacetamide;chloride
PubChem CID87129072
Molecular FormulaC4H9ClLiNO
Molecular Weight129.52 g/mol
Exact Mass129.05
IUPAC Namelithium;N,N-dimethylacetamide;chloride
SMILESCC(=O)N(C)C.[Cl-].[Li+]
InChIInChI=1S/C4H9NO.ClH.Li/c1-4(6)5(2)3;;/h1-3H3;1H;/q;;+1/p-1
InChIKeyYPJJABHAGGFGAM-UHFFFAOYSA-M
XLogP-5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.52
LogP ≤ 5-5.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;N,N-dimethylacetamide;chloride?
The IUPAC name of lithium;N,N-dimethylacetamide;chloride (CID 87129072) is lithium;N,N-dimethylacetamide;chloride.
What is the SMILES notation for lithium;N,N-dimethylacetamide;chloride?
The canonical SMILES for lithium;N,N-dimethylacetamide;chloride is CC(=O)N(C)C.[Cl-].[Li+].
What is the InChIKey of lithium;N,N-dimethylacetamide;chloride?
The InChIKey is YPJJABHAGGFGAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO.ClH.Li/c1-4(6)5(2)3;;/h1-3H3;1H;/q;;+1/p-1.
What are the key properties of lithium;N,N-dimethylacetamide;chloride?
lithium;N,N-dimethylacetamide;chloride has a molecular weight of 129.52 g/mol, XLogP of -5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N,N-dimethylacetamide;chloride is sourced from PubChem (CID 87129072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).