lithium ethynamine

C2H2LiN — CID 86144840

IUPAClithium ethynamine
SMILES[C-]#CN.[Li+]
InChIInChI=1S/C2H2N.Li/c1-2-3;/h3H2;/q-1;+1
InChIKeyAVBMXPSAZTWPHI-UHFFFAOYSA-N
MW46.99 g/mol
LogP-3.50
Rot. Bonds

About lithium ethynamine

lithium ethynamine (PubChem CID 86144840) has the molecular formula C2H2LiN and a molecular weight of 46.99 g/mol. Its IUPAC name is lithium ethynamine.

Molecular Properties

Compound Namelithium ethynamine
PubChem CID86144840
Molecular FormulaC2H2LiN
Molecular Weight46.99 g/mol
Exact Mass47.03
IUPAC Namelithium ethynamine
SMILES[C-]#CN.[Li+]
InChIInChI=1S/C2H2N.Li/c1-2-3;/h3H2;/q-1;+1
InChIKeyAVBMXPSAZTWPHI-UHFFFAOYSA-N
XLogP-3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.99
LogP ≤ 5-3.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium ethynamine?
The IUPAC name of lithium ethynamine (CID 86144840) is lithium ethynamine.
What is the SMILES notation for lithium ethynamine?
The canonical SMILES for lithium ethynamine is [C-]#CN.[Li+].
What is the InChIKey of lithium ethynamine?
The InChIKey is AVBMXPSAZTWPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N.Li/c1-2-3;/h3H2;/q-1;+1.
What are the key properties of lithium ethynamine?
lithium ethynamine has a molecular weight of 46.99 g/mol, XLogP of -3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethynamine is sourced from PubChem (CID 86144840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).