lithium diethylaminomethanone

C5H10LiNO — CID 14982489

IUPAClithium diethylaminomethanone
SMILESCCN([C-]=O)CC.[Li+]
InChIInChI=1S/C5H10NO.Li/c1-3-6(4-2)5-7;/h3-4H2,1-2H3;/q-1;+1
InChIKeyIAFDFBDZGBFEFO-UHFFFAOYSA-N
MW107.08 g/mol
LogP-2.60
Rot. Bonds3

About lithium diethylaminomethanone

lithium diethylaminomethanone (PubChem CID 14982489) has the molecular formula C5H10LiNO and a molecular weight of 107.08 g/mol. Its IUPAC name is lithium diethylaminomethanone.

Molecular Properties

Compound Namelithium diethylaminomethanone
PubChem CID14982489
Molecular FormulaC5H10LiNO
Molecular Weight107.08 g/mol
Exact Mass107.09
IUPAC Namelithium diethylaminomethanone
SMILESCCN([C-]=O)CC.[Li+]
InChIInChI=1S/C5H10NO.Li/c1-3-6(4-2)5-7;/h3-4H2,1-2H3;/q-1;+1
InChIKeyIAFDFBDZGBFEFO-UHFFFAOYSA-N
XLogP-2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylacetamide
CID 12703
Diethylformamide
CID 12051
Diethylcarbamoyl chloride
CID 6916
N-Ethyl-N-methylacetamide
CID 13390905
Diethylcarbamoyl fluoride
CID 12750942
Carbamothioic acid, diethyl-
CID 146472
Diethylaminomethanone
CID 59896870
Acetyl-ethyl-dimethylazanium
CID 53998828
N,N-Diethylformamide--hydrogen chloride (1/1)
CID 22363255
sodium N,N-diethylcarbamothioate
CID 23676715
Lithium [di(propan-2-yl)amino](oxo)methanide
CID 12464081
Lithium (dipropylamino)methanone
CID 14982490

Frequently Asked Questions

What is the IUPAC name of lithium diethylaminomethanone?
The IUPAC name of lithium diethylaminomethanone (CID 14982489) is lithium diethylaminomethanone.
What is the SMILES notation for lithium diethylaminomethanone?
The canonical SMILES for lithium diethylaminomethanone is CCN([C-]=O)CC.[Li+].
What is the InChIKey of lithium diethylaminomethanone?
The InChIKey is IAFDFBDZGBFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO.Li/c1-3-6(4-2)5-7;/h3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium diethylaminomethanone?
lithium diethylaminomethanone has a molecular weight of 107.08 g/mol, XLogP of -2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diethylaminomethanone is sourced from PubChem (CID 14982489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).