lithium urea

C4H16LiN8O4+ — CID 22107644

IUPAClithium urea
SMILESNC(N)=O.NC(N)=O.NC(N)=O.NC(N)=O.[Li+]
InChIInChI=1S/4CH4N2O.Li/c4*2-1(3)4;/h4*(H4,2,3,4);/q;;;;+1
InChIKeyIFHZLQZMILROQE-UHFFFAOYSA-N
MW247.16 g/mol
LogP-6.90
Rot. Bonds

About lithium urea

lithium urea (PubChem CID 22107644) has the molecular formula C4H16LiN8O4+ and a molecular weight of 247.16 g/mol. Its IUPAC name is lithium urea.

Molecular Properties

Compound Namelithium urea
PubChem CID22107644
Molecular FormulaC4H16LiN8O4+
Molecular Weight247.16 g/mol
Exact Mass247.14
IUPAC Namelithium urea
SMILESNC(N)=O.NC(N)=O.NC(N)=O.NC(N)=O.[Li+]
InChIInChI=1S/4CH4N2O.Li/c4*2-1(3)4;/h4*(H4,2,3,4);/q;;;;+1
InChIKeyIFHZLQZMILROQE-UHFFFAOYSA-N
XLogP-6.90
TPSA276.44 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.16
LogP ≤ 5-6.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium urea?
The IUPAC name of lithium urea (CID 22107644) is lithium urea.
What is the SMILES notation for lithium urea?
The canonical SMILES for lithium urea is NC(N)=O.NC(N)=O.NC(N)=O.NC(N)=O.[Li+].
What is the InChIKey of lithium urea?
The InChIKey is IFHZLQZMILROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4N2O.Li/c4*2-1(3)4;/h4*(H4,2,3,4);/q;;;;+1.
What are the key properties of lithium urea?
lithium urea has a molecular weight of 247.16 g/mol, XLogP of -6.90, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium urea is sourced from PubChem (CID 22107644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).