lithium 2,2-dimethoxyethylazanide

C4H10LiNO2 — CID 86597748

IUPAClithium 2,2-dimethoxyethylazanide
SMILESCOC(C[NH-])OC.[Li+]
InChIInChI=1S/C4H10NO2.Li/c1-6-4(3-5)7-2;/h4-5H,3H2,1-2H3;/q-1;+1
InChIKeyHNYOHNBFTMQOQQ-UHFFFAOYSA-N
MW111.07 g/mol
LogP-2.34
Rot. Bonds3

About lithium 2,2-dimethoxyethylazanide

lithium 2,2-dimethoxyethylazanide (PubChem CID 86597748) has the molecular formula C4H10LiNO2 and a molecular weight of 111.07 g/mol. Its IUPAC name is lithium 2,2-dimethoxyethylazanide.

Molecular Properties

Compound Namelithium 2,2-dimethoxyethylazanide
PubChem CID86597748
Molecular FormulaC4H10LiNO2
Molecular Weight111.07 g/mol
Exact Mass111.09
IUPAC Namelithium 2,2-dimethoxyethylazanide
SMILESCOC(C[NH-])OC.[Li+]
InChIInChI=1S/C4H10NO2.Li/c1-6-4(3-5)7-2;/h4-5H,3H2,1-2H3;/q-1;+1
InChIKeyHNYOHNBFTMQOQQ-UHFFFAOYSA-N
XLogP-2.34
TPSA42.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.07
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2,2-dimethoxyethylazanide?
The IUPAC name of lithium 2,2-dimethoxyethylazanide (CID 86597748) is lithium 2,2-dimethoxyethylazanide.
What is the SMILES notation for lithium 2,2-dimethoxyethylazanide?
The canonical SMILES for lithium 2,2-dimethoxyethylazanide is COC(C[NH-])OC.[Li+].
What is the InChIKey of lithium 2,2-dimethoxyethylazanide?
The InChIKey is HNYOHNBFTMQOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2.Li/c1-6-4(3-5)7-2;/h4-5H,3H2,1-2H3;/q-1;+1.
What are the key properties of lithium 2,2-dimethoxyethylazanide?
lithium 2,2-dimethoxyethylazanide has a molecular weight of 111.07 g/mol, XLogP of -2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-dimethoxyethylazanide is sourced from PubChem (CID 86597748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).