lithium;2-methylpropanamide;chloride

C4H9ClLiNO — CID 23674959

IUPAClithium;2-methylpropanamide;chloride
SMILESCC(C)C(N)=O.[Cl-].[Li+]
InChIInChI=1S/C4H9NO.ClH.Li/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);1H;/q;;+1/p-1
InChIKeyICXWPWNCVZCKEG-UHFFFAOYSA-M
MW129.52 g/mol
LogP-5.86
Rot. Bonds1

About lithium;2-methylpropanamide;chloride

lithium;2-methylpropanamide;chloride (PubChem CID 23674959) has the molecular formula C4H9ClLiNO and a molecular weight of 129.52 g/mol. Its IUPAC name is lithium;2-methylpropanamide;chloride.

Molecular Properties

Compound Namelithium;2-methylpropanamide;chloride
PubChem CID23674959
Molecular FormulaC4H9ClLiNO
Molecular Weight129.52 g/mol
Exact Mass129.05
IUPAC Namelithium;2-methylpropanamide;chloride
SMILESCC(C)C(N)=O.[Cl-].[Li+]
InChIInChI=1S/C4H9NO.ClH.Li/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);1H;/q;;+1/p-1
InChIKeyICXWPWNCVZCKEG-UHFFFAOYSA-M
XLogP-5.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.52
LogP ≤ 5-5.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;2-methylpropanamide;chloride?
The IUPAC name of lithium;2-methylpropanamide;chloride (CID 23674959) is lithium;2-methylpropanamide;chloride.
What is the SMILES notation for lithium;2-methylpropanamide;chloride?
The canonical SMILES for lithium;2-methylpropanamide;chloride is CC(C)C(N)=O.[Cl-].[Li+].
What is the InChIKey of lithium;2-methylpropanamide;chloride?
The InChIKey is ICXWPWNCVZCKEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO.ClH.Li/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);1H;/q;;+1/p-1.
What are the key properties of lithium;2-methylpropanamide;chloride?
lithium;2-methylpropanamide;chloride has a molecular weight of 129.52 g/mol, XLogP of -5.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-methylpropanamide;chloride is sourced from PubChem (CID 23674959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).