lithium morpholin-4-ide-2-carbonitrile

C5H7LiN2O — CID 169184520

IUPAClithium morpholin-4-ide-2-carbonitrile
SMILESN#CC1C[N-]CCO1.[Li+]
InChIInChI=1S/C5H7N2O.Li/c6-3-5-4-7-1-2-8-5;/h5H,1-2,4H2;/q-1;+1
InChIKeyMGEHKCPAIYTZKG-UHFFFAOYSA-N
MW118.06 g/mol
LogP-2.71
Rot. Bonds

About lithium morpholin-4-ide-2-carbonitrile

lithium morpholin-4-ide-2-carbonitrile (PubChem CID 169184520) has the molecular formula C5H7LiN2O and a molecular weight of 118.06 g/mol. Its IUPAC name is lithium morpholin-4-ide-2-carbonitrile.

Molecular Properties

Compound Namelithium morpholin-4-ide-2-carbonitrile
PubChem CID169184520
Molecular FormulaC5H7LiN2O
Molecular Weight118.06 g/mol
Exact Mass118.07
IUPAC Namelithium morpholin-4-ide-2-carbonitrile
SMILESN#CC1C[N-]CCO1.[Li+]
InChIInChI=1S/C5H7N2O.Li/c6-3-5-4-7-1-2-8-5;/h5H,1-2,4H2;/q-1;+1
InChIKeyMGEHKCPAIYTZKG-UHFFFAOYSA-N
XLogP-2.71
TPSA47.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.06
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium morpholin-4-ide-2-carbonitrile?
The IUPAC name of lithium morpholin-4-ide-2-carbonitrile (CID 169184520) is lithium morpholin-4-ide-2-carbonitrile.
What is the SMILES notation for lithium morpholin-4-ide-2-carbonitrile?
The canonical SMILES for lithium morpholin-4-ide-2-carbonitrile is N#CC1C[N-]CCO1.[Li+].
What is the InChIKey of lithium morpholin-4-ide-2-carbonitrile?
The InChIKey is MGEHKCPAIYTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O.Li/c6-3-5-4-7-1-2-8-5;/h5H,1-2,4H2;/q-1;+1.
What are the key properties of lithium morpholin-4-ide-2-carbonitrile?
lithium morpholin-4-ide-2-carbonitrile has a molecular weight of 118.06 g/mol, XLogP of -2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium morpholin-4-ide-2-carbonitrile is sourced from PubChem (CID 169184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).