lithium;N,N-dimethylformamide;chloride

C3H7ClLiNO — CID 87925918

IUPAClithium;N,N-dimethylformamide;chloride
SMILESCN(C)C=O.[Cl-].[Li+]
InChIInChI=1S/C3H7NO.ClH.Li/c1-4(2)3-5;;/h3H,1-2H3;1H;/q;;+1/p-1
InChIKeySLWMIXZPRPWLRQ-UHFFFAOYSA-M
MW115.49 g/mol
LogP-6.29
Rot. Bonds1

About lithium;N,N-dimethylformamide;chloride

lithium;N,N-dimethylformamide;chloride (PubChem CID 87925918) has the molecular formula C3H7ClLiNO and a molecular weight of 115.49 g/mol. Its IUPAC name is lithium;N,N-dimethylformamide;chloride.

Molecular Properties

Compound Namelithium;N,N-dimethylformamide;chloride
PubChem CID87925918
Molecular FormulaC3H7ClLiNO
Molecular Weight115.49 g/mol
Exact Mass115.04
IUPAC Namelithium;N,N-dimethylformamide;chloride
SMILESCN(C)C=O.[Cl-].[Li+]
InChIInChI=1S/C3H7NO.ClH.Li/c1-4(2)3-5;;/h3H,1-2H3;1H;/q;;+1/p-1
InChIKeySLWMIXZPRPWLRQ-UHFFFAOYSA-M
XLogP-6.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.49
LogP ≤ 5-6.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;N,N-dimethylformamide;chloride?
The IUPAC name of lithium;N,N-dimethylformamide;chloride (CID 87925918) is lithium;N,N-dimethylformamide;chloride.
What is the SMILES notation for lithium;N,N-dimethylformamide;chloride?
The canonical SMILES for lithium;N,N-dimethylformamide;chloride is CN(C)C=O.[Cl-].[Li+].
What is the InChIKey of lithium;N,N-dimethylformamide;chloride?
The InChIKey is SLWMIXZPRPWLRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO.ClH.Li/c1-4(2)3-5;;/h3H,1-2H3;1H;/q;;+1/p-1.
What are the key properties of lithium;N,N-dimethylformamide;chloride?
lithium;N,N-dimethylformamide;chloride has a molecular weight of 115.49 g/mol, XLogP of -6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N,N-dimethylformamide;chloride is sourced from PubChem (CID 87925918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).